upload a tiny (70 structures, 10 per crystal system) subset of lematerial for download testing

lematerial_download_test.cif

@@ -0,0 +1,2574 @@
+data_agm003763434
+_entalpic_fingerprint   7549299ca68a3f2cc75312c5db2a4d5f_2_Zn1Cu1Pt6
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   6.89079401
+_cell_length_b   7.38074762
+_cell_length_c   5.05048894
+_cell_angle_alpha   43.17537212
+_cell_angle_beta   46.84444778
+_cell_angle_gamma   57.65136562
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ZnCuPt6
+_chemical_formula_sum   'Zn1 Cu1 Pt6'
+_cell_volume   127.87423877
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Zn  Zn0  1  0.50000000  0.50000000  0.50000000  1.0
+  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1.0
+  Pt  Pt2  1  0.94155077  0.44056628  0.86702513  1.0
+  Pt  Pt3  1  0.75080343  0.93975899  0.74928966  1.0
+  Pt  Pt4  1  0.44160470  0.24914358  0.36783849  1.0
+  Pt  Pt5  1  0.24919657  0.06024101  0.25071034  1.0
+  Pt  Pt6  1  0.05844923  0.55943372  0.13297487  1.0
+  Pt  Pt7  1  0.55839530  0.75085642  0.63216151  1.0
+data_agm002112436
+_entalpic_fingerprint   cb6e51c5a0d1a6ecbd3661d092ba941b_2_Zr2Ni4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.51144851
+_cell_length_b   4.63353227
+_cell_length_c   5.05675439
+_cell_angle_alpha   72.92194839
+_cell_angle_beta   84.21196272
+_cell_angle_gamma   60.98083165
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ZrNi2
+_chemical_formula_sum   'Zr2 Ni4'
+_cell_volume   88.25004068
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Zr  Zr0  1  0.67757645  0.59920672  0.70749170  1.0
+  Zr  Zr1  1  0.32242355  0.40079328  0.29250830  1.0
+  Ni  Ni2  1  0.66833859  0.75625510  0.17494022  1.0
+  Ni  Ni3  1  0.33166141  0.24374490  0.82505978  1.0
+  Ni  Ni4  1  0.99207632  0.07858985  0.22555895  1.0
+  Ni  Ni5  1  0.00792368  0.92141015  0.77444105  1.0
+data_agm004949477
+_entalpic_fingerprint   de30e6f5ae6371512b9e4d9ed689122f_1_Mn1Tc1H2O6
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.13356063
+_cell_length_b   5.16340979
+_cell_length_c   5.37454442
+_cell_angle_alpha   62.36372275
+_cell_angle_beta   62.69626968
+_cell_angle_gamma   62.08523772
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   MnTc(HO3)2
+_chemical_formula_sum   'Mn1 Tc1 H2 O6'
+_cell_volume   106.08125338
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Mn  Mn0  1  0.85890734  0.79768408  0.53897591  1.0
+  Tc  Tc1  1  0.32976540  0.34937770  0.03809142  1.0
+  H  H2  1  0.36646027  0.80022228  0.43504661  1.0
+  H  H3  1  0.91663471  0.04819460  0.79131295  1.0
+  O  O4  1  0.59552001  0.15730862  0.24779193  1.0
+  O  O5  1  0.22793803  0.91337299  0.31069806  1.0
+  O  O6  1  0.00314576  0.54707638  0.27805954  1.0
+  O  O7  1  0.48865754  0.65554606  0.76526440  1.0
+  O  O8  1  0.73550403  0.03672199  0.78344655  1.0
+  O  O9  1  0.13906391  0.35609632  0.82651362  1.0
+data_mp-753558
+_entalpic_fingerprint
+27c1747c6d1267ea0786d0659b2c6efa_1_Li10Mn2O6F4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.95884435
+_cell_length_b   9.52949057
+_cell_length_c   5.99360154
+_cell_angle_alpha   71.70250465
+_cell_angle_beta   89.93774723
+_cell_angle_gamma   89.97694461
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Li5MnO3F2
+_chemical_formula_sum   'Li10 Mn2 O6 F4'
+_cell_volume   214.68064010
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Li  Li0  1  0.99564368  0.00012581  0.49616221  1.0
+  Li  Li1  1  0.49564402  0.50012583  0.49616212  1.0
+  Li  Li2  1  0.99929276  0.32714344  0.87339171  1.0
+  Li  Li3  1  0.49929274  0.82714437  0.87339022  1.0
+  Li  Li4  1  0.49821531  0.17348846  0.11886683  1.0
+  Li  Li5  1  0.99821529  0.67348946  0.11886455  1.0
+  Li  Li6  1  0.99717732  0.29784311  0.30708683  1.0
+  Li  Li7  1  0.49717731  0.79784297  0.30708683  1.0
+  Li  Li8  1  0.49949099  0.20268708  0.68581935  1.0
+  Li  Li9  1  0.99949097  0.70268799  0.68582010  1.0
+  Mn  Mn10  1  0.49873725  0.50046369  0.99614469  1.0
+  Mn  Mn11  1  0.99873232  0.00045807  0.99615111  1.0
+  O  O12  1  0.49868438  0.00073354  0.99543571  1.0
+  O  O13  1  0.99868448  0.50073345  0.99543578  1.0
+  O  O14  1  0.49911089  0.36171282  0.81929594  1.0
+  O  O15  1  0.99911135  0.86171342  0.81929466  1.0
+  O  O16  1  0.99810500  0.13899014  0.17339176  1.0
+  O  O17  1  0.49810559  0.63899058  0.17339047  1.0
+  F  F18  1  0.49741397  0.32103264  0.35015432  1.0
+  F  F19  1  0.99741400  0.82103584  0.35015129  1.0
+  F  F20  1  0.99851624  0.18031903  0.64231832  1.0
+  F  F21  1  0.49851615  0.68032228  0.64231519  1.0
+data_mp-1196196
+_entalpic_fingerprint
+08daf0c174ae1978a58aac8226f9f015_2_Ni2Ru10C34O32
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   9.36032014
+_cell_length_b   10.10439929
+_cell_length_c   16.29439677
+_cell_angle_alpha   85.20594853
+_cell_angle_beta   83.31673556
+_cell_angle_gamma   63.37791542
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   NiRu5C17O16
+_chemical_formula_sum   'Ni2 Ru10 C34 O32'
+_cell_volume   1367.52309808
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ni  Ni0  1  0.72562403  0.21846128  0.65518246  1.0
+  Ni  Ni1  1  0.27437597  0.78153872  0.34481754  1.0
+  Ru  Ru2  1  0.94971138  0.24231740  0.84155079  1.0
+  Ru  Ru3  1  0.05028862  0.75768260  0.15844921  1.0
+  Ru  Ru4  1  0.00575216  0.01263893  0.72983678  1.0
+  Ru  Ru5  1  0.99424784  0.98736107  0.27016322  1.0
+  Ru  Ru6  1  0.67912985  0.17238678  0.81620323  1.0
+  Ru  Ru7  1  0.32087015  0.82761322  0.18379677  1.0
+  Ru  Ru8  1  0.67824542  0.45708114  0.75981286  1.0
+  Ru  Ru9  1  0.32175458  0.54291886  0.24018714  1.0
+  Ru  Ru10  1  0.97849744  0.30075487  0.65987630  1.0
+  Ru  Ru11  1  0.02150256  0.69924513  0.34012370  1.0
+  C  C12  1  0.83563790  0.23335851  0.74152929  1.0
+  C  C13  1  0.16436210  0.76664149  0.25847071  1.0
+  C  C14  1  0.65621131  0.22008984  0.55796450  1.0
+  C  C15  1  0.34378869  0.77991016  0.44203550  1.0
+  C  C16  1  0.16934084  0.12419714  0.86264513  1.0
+  C  C17  1  0.83065916  0.87580286  0.13735487  1.0
+  C  C18  1  0.92948343  0.41924768  0.88746136  1.0
+  C  C19  1  0.07051657  0.58075232  0.11253864  1.0
+  C  C20  1  0.86672719  0.17904149  0.94082860  1.0
+  C  C21  1  0.13327281  0.82095851  0.05917140  1.0
+  C  C22  1  0.98289783  0.92103050  0.63816869  1.0
+  C  C23  1  0.01710217  0.07896950  0.36183131  1.0
+  C  C24  1  0.03262530  0.84867893  0.80384865  1.0
+  C  C25  1  0.96737470  0.15132107  0.19615135  1.0
+  C  C26  1  0.23219777  0.93456081  0.70996891  1.0
+  C  C27  1  0.76780223  0.06543919  0.29003109  1.0
+  C  C28  1  0.68706222  0.99687598  0.87303952  1.0
+  C  C29  1  0.31293778  0.00312402  0.12696048  1.0
+  C  C30  1  0.48543007  0.28155823  0.88165763  1.0
+  C  C31  1  0.51456993  0.71844177  0.11834237  1.0
+  C  C32  1  0.56630042  0.16084304  0.72427869  1.0
+  C  C33  1  0.43369958  0.83915696  0.27572131  1.0
+  C  C34  1  0.54412856  0.54973570  0.85610315  1.0
+  C  C35  1  0.45587144  0.45026430  0.14389685  1.0
+  C  C36  1  0.72201871  0.62300886  0.73379297  1.0
+  C  C37  1  0.27798129  0.37699114  0.26620703  1.0
+  C  C38  1  0.50997777  0.52337149  0.68874143  1.0
+  C  C39  1  0.49002223  0.47662851  0.31125857  1.0
+  C  C40  1  0.07468897  0.41662252  0.69260051  1.0
+  C  C41  1  0.92531103  0.58337748  0.30739949  1.0
+  C  C42  1  0.16648141  0.18627054  0.59051234  1.0
+  C  C43  1  0.83351859  0.81372946  0.40948766  1.0
+  C  C44  1  0.87664796  0.41534634  0.56701540  1.0
+  C  C45  1  0.12335204  0.58465366  0.43298460  1.0
+  O  O46  1  0.60914234  0.22156827  0.49535160  1.0
+  O  O47  1  0.39085766  0.77843173  0.50464840  1.0
+  O  O48  1  0.30229006  0.05643344  0.87692939  1.0
+  O  O49  1  0.69770994  0.94356656  0.12307061  1.0
+  O  O50  1  0.92156392  0.52296709  0.91725247  1.0
+  O  O51  1  0.07843608  0.47703291  0.08274753  1.0
+  O  O52  1  0.83690093  0.14173678  0.00758865  1.0
+  O  O53  1  0.16309907  0.85826322  0.99241135  1.0
+  O  O54  1  0.97998494  0.85668554  0.58299147  1.0
+  O  O55  1  0.02001506  0.14331446  0.41700853  1.0
+  O  O56  1  0.05710372  0.74478645  0.84684867  1.0
+  O  O57  1  0.94289628  0.25521355  0.15315133  1.0
+  O  O58  1  0.37122043  0.88120297  0.70081861  1.0
+  O  O59  1  0.62877957  0.11879703  0.29918139  1.0
+  O  O60  1  0.68747275  0.89252254  0.90886219  1.0
+  O  O61  1  0.31252725  0.10747746  0.09113781  1.0
+  O  O62  1  0.36363525  0.34511752  0.92007960  1.0
+  O  O63  1  0.63636475  0.65488248  0.07992040  1.0
+  O  O64  1  0.46160892  0.13981604  0.70379435  1.0
+  O  O65  1  0.53839108  0.86018396  0.29620565  1.0
+  O  O66  1  0.46593977  0.61090822  0.91417277  1.0
+  O  O67  1  0.53406023  0.38909178  0.08582723  1.0
+  O  O68  1  0.74511854  0.72660085  0.71935209  1.0
+  O  O69  1  0.25488146  0.27339915  0.28064791  1.0
+  O  O70  1  0.40093380  0.57167267  0.64920616  1.0
+  O  O71  1  0.59906620  0.42832733  0.35079384  1.0
+  O  O72  1  0.13334015  0.48931418  0.70963327  1.0
+  O  O73  1  0.86665985  0.51068582  0.29036673  1.0
+  O  O74  1  0.27797519  0.12514260  0.54484956  1.0
+  O  O75  1  0.72202481  0.87485740  0.45515044  1.0
+  O  O76  1  0.81647538  0.48994689  0.51069064  1.0
+  O  O77  1  0.18352462  0.51005311  0.48930936  1.0
+data_agm2000097980
+_entalpic_fingerprint   29eb833c69fb2958ab4eeaf79dca9cd4_1_Na2Li6S4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.98579844
+_cell_length_b   8.07089047
+_cell_length_c   20.49197196
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   60.40793344
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   NaLi3S2
+_chemical_formula_sum   'Na2 Li6 S4'
+_cell_volume   573.22054628
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Na  Na0  1  0.52228731  0.31372733  0.49188793  1.0
+  Na  Na1  1  0.36761383  0.96840429  0.49018844  1.0
+  Li  Li2  1  0.47371881  0.36256646  0.62478731  1.0
+  Li  Li3  1  0.76836919  0.06693773  0.37793890  1.0
+  Li  Li4  1  0.44693438  0.88960846  0.62860479  1.0
+  Li  Li5  1  0.75729432  0.57535825  0.36059877  1.0
+  Li  Li6  1  0.76933874  0.56685112  0.47067695  1.0
+  Li  Li7  1  0.11740212  0.71907490  0.55473095  1.0
+  S  S8  1  0.79883585  0.03747063  0.59259190  1.0
+  S  S9  1  0.10864695  0.72678591  0.42222015  1.0
+  S  S10  1  0.78822357  0.54803970  0.58635835  1.0
+  S  S11  1  0.08131495  0.25427523  0.39941556  1.0
+data_agm005630850
+_entalpic_fingerprint   5e3e85bb466ae38972150c68bbfe99b7_2_Zn2As2I2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.28548764
+_cell_length_b   5.28372360
+_cell_length_c   11.35949248
+_cell_angle_alpha   76.38020248
+_cell_angle_beta   75.77997362
+_cell_angle_gamma   44.61933680
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ZnAsI
+_chemical_formula_sum   'Zn2 As2 I2'
+_cell_volume   215.13973815
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Zn  Zn0  1  0.05945938  0.04578349  0.32853709  1.0
+  Zn  Zn1  1  0.94054062  0.95421651  0.67146291  1.0
+  As  As2  1  0.17159729  0.17150438  0.50048738  1.0
+  As  As3  1  0.82840271  0.82849562  0.49951262  1.0
+  I  I4  1  0.38776426  0.41293525  0.82651173  1.0
+  I  I5  1  0.61223574  0.58706475  0.17348827  1.0
+data_oqmd-8927991
+_entalpic_fingerprint
+10a1534a4233fdc655b8c84188194ecb_2_Rb2Ta2Pb2S10
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   7.13802504
+_cell_length_b   7.63015501
+_cell_length_c   9.65962644
+_cell_angle_alpha   71.71632827
+_cell_angle_beta   79.17033910
+_cell_angle_gamma   74.51871164
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   RbTaPbS5
+_chemical_formula_sum   'Rb2 Ta2 Pb2 S10'
+_cell_volume   478.29076934
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Rb  Rb2  1  0.59760914  0.37844451  0.27014853  1.0
+  Rb  Rb3  1  0.40239115  0.62155558  0.72985065  1.0
+  Ta  Ta14  1  0.24033459  0.03015319  0.00510406  1.0
+  Ta  Ta15  1  0.75966570  0.96984690  0.99489513  1.0
+  Pb  Pb0  1  0.97921163  0.71856880  0.36536978  1.0
+  Pb  Pb1  1  0.02078866  0.28143130  0.63462941  1.0
+  S  S4  1  0.06708868  0.76553906  0.01252914  1.0
+  S  S5  1  0.43437102  0.22392187  0.02257594  1.0
+  S  S6  1  0.66914872  0.92414571  0.26403047  1.0
+  S  S7  1  0.24718470  0.89679349  0.27397411  1.0
+  S  S8  1  0.06892122  0.37591130  0.34948256  1.0
+  S  S9  1  0.93107890  0.62408839  0.65051772  1.0
+  S  S10  1  0.75281543  0.10320620  0.72602617  1.0
+  S  S11  1  0.33085140  0.07585399  0.73596981  1.0
+  S  S12  1  0.56562911  0.77607783  0.97742435  1.0
+  S  S13  1  0.93291161  0.23446103  0.98747004  1.0
+data_agm1000019126
+_entalpic_fingerprint   56800e6cb01512220e30caec7c1e7ffe_1_In6N2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   17.92410245
+_cell_length_b   17.92410245
+_cell_length_c   6.65132132
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   119.99999999
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   In3N
+_chemical_formula_sum   'In6 N2'
+_cell_volume   1850.60357007
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  In  In0  1  0.50409739  0.55717789  0.04827685  1.0
+  In  In1  1  0.48998895  0.36572961  0.79492673  1.0
+  In  In2  1  0.60494034  0.57797441  0.55208941  1.0
+  In  In3  1  0.49021945  0.36458494  0.28733096  1.0
+  In  In4  1  0.51251803  0.66903643  0.39260497  1.0
+  In  In5  1  0.39989247  0.48727097  0.55154660  1.0
+  N  N6  1  0.49916391  0.49112049  0.77657583  1.0
+  N  N7  1  0.49917946  0.48710525  0.32771265  1.0
+data_agm2000017029
+_entalpic_fingerprint   5c543629e7d8b182c572c64ae56fbdde_1_In6N2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.33002095
+_cell_length_b   6.75372419
+_cell_length_c   20.28795608
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   89.62946792
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   In3N
+_chemical_formula_sum   'In6 N2'
+_cell_volume   456.26746429
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  In  In0  1  0.00948751  0.22347168  0.64254118  1.0
+  In  In1  1  0.00074307  0.22485902  0.38198971  1.0
+  In  In2  1  0.00082838  0.72445983  0.38196191  1.0
+  In  In3  1  0.98735230  0.72365265  0.64260700  1.0
+  In  In4  1  0.48972822  0.47455370  0.52212575  1.0
+  In  In5  1  0.51097960  0.97461514  0.52196684  1.0
+  N  N6  1  0.98897108  0.47472563  0.45349166  1.0
+  N  N7  1  0.01190090  0.97453115  0.45331594  1.0
+data_agm003150428
+_entalpic_fingerprint   d419d2ddd7e76f34bb58924c585caf35_2_Ti2Bi2Se4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   9.33885695
+_cell_length_b   3.56112583
+_cell_length_c   6.15417239
+_cell_angle_alpha   89.99220404
+_cell_angle_beta   76.58515525
+_cell_angle_gamma   89.90347812
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   TiBiSe2
+_chemical_formula_sum   'Ti2 Bi2 Se4'
+_cell_volume   199.08385423
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ti  Ti6  1  0.12028217  0.78794823  0.49894863  1.0
+  Ti  Ti7  1  0.12027422  0.28900620  0.99920665  1.0
+  Bi  Bi0  1  0.62041921  0.85098696  0.99908762  1.0
+  Bi  Bi1  1  0.62010116  0.22735106  0.49923649  1.0
+  Se  Se2  1  0.94987572  0.79273071  0.89235657  1.0
+  Se  Se3  1  0.29065777  0.28442884  0.60582444  1.0
+  Se  Se4  1  0.94979503  0.28604895  0.39241550  1.0
+  Se  Se5  1  0.29075100  0.79110228  0.10576485  1.0
+data_agm001029692
+_entalpic_fingerprint   ceeac007b568b962a0859a475e5c8838_2_Mn2Cu2Te2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.95093817
+_cell_length_b   3.51361279
+_cell_length_c   8.48396854
+_cell_angle_alpha   90.64010104
+_cell_angle_beta   103.51776459
+_cell_angle_gamma   89.99748334
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   MnCuTe
+_chemical_formula_sum   'Mn2 Cu2 Te2'
+_cell_volume   114.50481019
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Mn  Mn2  1  0.45958982  0.28012975  0.41901875  1.0
+  Mn  Mn3  1  0.54041018  0.71987025  0.58098125  1.0
+  Cu  Cu4  1  0.05867649  0.22999221  0.61656463  1.0
+  Cu  Cu5  1  0.94132351  0.77000779  0.38343537  1.0
+  Te  Te0  1  0.33787558  0.73650988  0.17732684  1.0
+  Te  Te1  1  0.66212442  0.26349012  0.82267316  1.0
+data_agm2000082596
+_entalpic_fingerprint   e66c5005fb3fd7b93e4aa4f0ca5e0e3c_1_Rb2Fe2N2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.52332570
+_cell_length_b   4.64048699
+_cell_length_c   18.85163632
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00281620
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   RbFeN
+_chemical_formula_sum   'Rb2 Fe2 N2'
+_cell_volume   483.18480164
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Rb  Rb2  1  0.98435735  0.72133104  0.62233955  1.0
+  Rb  Rb3  1  0.98485046  0.22763873  0.41802644  1.0
+  Fe  Fe0  1  0.48388981  0.22044645  0.56034153  1.0
+  Fe  Fe1  1  0.48450741  0.72713033  0.48225704  1.0
+  N  N4  1  0.48492082  0.36317012  0.45883246  1.0
+  N  N5  1  0.48491295  0.09088683  0.45820298  1.0
+data_agm002383274
+_entalpic_fingerprint   81f4e6e253950a2cb061c2d4dac89986_2_Re2Sn2Pb2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.21862639
+_cell_length_b   5.50046465
+_cell_length_c   6.86993122
+_cell_angle_alpha   77.30498074
+_cell_angle_beta   107.82775113
+_cell_angle_gamma   90.00543051
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ReSnPb
+_chemical_formula_sum   'Re2 Sn2 Pb2'
+_cell_volume   147.66001572
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Re  Re2  1  0.22537631  0.10877308  0.44443969  1.0
+  Re  Re3  1  0.78258126  0.88667339  0.55878671  1.0
+  Sn  Sn4  1  0.56889233  0.19565791  0.13004260  1.0
+  Sn  Sn5  1  0.43875996  0.79997443  0.87318911  1.0
+  Pb  Pb0  1  0.85301474  0.35055327  0.70093347  1.0
+  Pb  Pb1  1  0.15452240  0.64491391  0.30231142  1.0
+data_agm001052149
+_entalpic_fingerprint   a34ab240739831cf19937e18f50376e5_1_Nb2W2Cl2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   2.96641790
+_cell_length_b   3.29552734
+_cell_length_c   14.38558739
+_cell_angle_alpha   103.21888041
+_cell_angle_beta   98.62739788
+_cell_angle_gamma   56.24701749
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   NbWCl
+_chemical_formula_sum   'Nb2 W2 Cl2'
+_cell_volume   113.78341594
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Nb  Nb2  1  0.61882365  0.84500365  0.45110281  1.0
+  Nb  Nb3  1  0.54341708  0.91448904  0.98212431  1.0
+  W  W0  1  0.58883970  0.54992834  0.14027520  1.0
+  W  W1  1  0.61340407  0.19006201  0.29296854  1.0
+  Cl  Cl4  1  0.94535050  0.31125617  0.58139689  1.0
+  Cl  Cl5  1  0.82797900  0.14171079  0.85183425  1.0
+data_agm1000005046
+_entalpic_fingerprint   33cf230297b8651257869b9a89d5b141_1_V3N3
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   18.17659326
+_cell_length_b   18.17659326
+_cell_length_c   2.81356482
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   120.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   VN
+_chemical_formula_sum   'V3 N3'
+_cell_volume   805.03087106
+_cell_formula_units_Z   3
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  V  V3  1  0.48757524  0.49270604  0.83289989  1.0
+  V  V4  1  0.62003352  0.51003005  0.33269719  1.0
+  V  V5  1  0.55379685  0.39575817  0.83278908  1.0
+  N  N0  1  0.40898089  0.61046703  0.83454106  1.0
+  N  N1  1  0.43707846  0.56675946  0.83419756  1.0
+  N  N2  1  0.49253503  0.42427926  0.33287522  1.0
+data_agm003061154
+_entalpic_fingerprint   5a7e1ea488961d34fb1cff79c9c66c21_2_Ga2Cu2Ge2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.15402331
+_cell_length_b   7.19043171
+_cell_length_c   4.15293507
+_cell_angle_alpha   105.99621289
+_cell_angle_beta   60.39012303
+_cell_angle_gamma   106.06336972
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   GaCuGe
+_chemical_formula_sum   'Ga2 Cu2 Ge2'
+_cell_volume   102.19373141
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ga  Ga2  1  0.18916404  0.02872939  0.47241936  1.0
+  Ga  Ga3  1  0.93397526  0.26329455  0.21751053  1.0
+  Cu  Cu4  1  0.80958901  0.89167823  0.09339913  1.0
+  Cu  Cu5  1  0.31356855  0.40061478  0.59628254  1.0
+  Ge  Ge0  1  0.68560733  0.51492995  0.96745044  1.0
+  Ge  Ge1  1  0.43749666  0.77706750  0.72233779  1.0
+data_oqmd-3548282
+_entalpic_fingerprint
+583845e0f1aac8b99051f7b1e6d784db_2_Rb4Rh4Se4O4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.39615370
+_cell_length_b   8.10464895
+_cell_length_c   8.27394287
+_cell_angle_alpha   90.08526805
+_cell_angle_beta   95.94769425
+_cell_angle_gamma   89.92016249
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   RbRhSeO
+_chemical_formula_sum   'Rb4 Rh4 Se4 O4'
+_cell_volume   359.90348846
+_cell_formula_units_Z   4
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Rb  Rb4  1  0.78902525  0.34180381  0.01909684  1.0
+  Rb  Rb5  1  0.21096869  0.84208003  0.48117867  1.0
+  Rb  Rb6  1  0.78818435  0.15765100  0.51882808  1.0
+  Rb  Rb7  1  0.21178883  0.65785741  0.98093437  1.0
+  Rh  Rh8  1  0.41058549  0.05825540  0.13842991  1.0
+  Rh  Rh9  1  0.58872888  0.55795509  0.36128848  1.0
+  Rh  Rh10  1  0.41148303  0.44228728  0.63839952  1.0
+  Rh  Rh11  1  0.58937929  0.94197276  0.86189538  1.0
+  Se  Se12  1  0.75656097  0.88890743  0.12954800  1.0
+  Se  Se13  1  0.24302352  0.38904985  0.37079101  1.0
+  Se  Se14  1  0.75664883  0.61118541  0.62897145  1.0
+  Se  Se15  1  0.24377872  0.11113417  0.87067069  1.0
+  O  O0  1  0.71741602  0.65662646  0.15770162  1.0
+  O  O1  1  0.28298338  0.15690037  0.34247830  1.0
+  O  O2  1  0.71690441  0.84305273  0.65792624  1.0
+  O  O3  1  0.28253808  0.34327785  0.84186340  1.0
+data_agm001000505
+_entalpic_fingerprint   4e8d19dbae7ff980e4fa780abc1a30dc_2_Ge2Te2W2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.23806244
+_cell_length_b   6.42013293
+_cell_length_c   6.64460881
+_cell_angle_alpha   88.67687082
+_cell_angle_beta   104.06762484
+_cell_angle_gamma   89.98700701
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   GeTeW
+_chemical_formula_sum   'Ge2 Te2 W2'
+_cell_volume   133.95254413
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ge  Ge2  1  0.90729748  0.05600224  0.81489664  1.0
+  Ge  Ge3  1  0.09270252  0.94399776  0.18510336  1.0
+  Te  Te0  1  0.36330013  0.57234893  0.72739415  1.0
+  Te  Te1  1  0.63669987  0.42765107  0.27260585  1.0
+  W  W4  1  0.73493790  0.82092633  0.47030378  1.0
+  W  W5  1  0.26506210  0.17907367  0.52969622  1.0
+data_agm001008066
+_entalpic_fingerprint   c12754daa6086334c30fbc63c85fbcfd_2_Tc2Cu2O2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   2.88044442
+_cell_length_b   2.87310408
+_cell_length_c   12.92788811
+_cell_angle_alpha   116.67363551
+_cell_angle_beta   129.36524209
+_cell_angle_gamma   79.82326427
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   CuTcO
+_chemical_formula_sum   'Cu2 Tc2 O2'
+_cell_volume   73.00289702
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Cu  Cu2  1  0.49926715  0.80535992  0.19488932  1.0
+  Cu  Cu3  1  0.50073285  0.19464008  0.80511068  1.0
+  Tc  Tc0  1  0.50649737  0.41122979  0.59384158  1.0
+  Tc  Tc1  1  0.49350263  0.58877021  0.40615842  1.0
+  O  O4  1  0.68390524  0.81662964  0.00015194  1.0
+  O  O5  1  0.31609476  0.18337036  0.99984806  1.0
+data_agm003032902
+_entalpic_fingerprint   38000d98744b4b2bbf09766b39396a58_1_Al2Ga2Hg2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   6.10624334
+_cell_length_b   3.12000009
+_cell_length_c   6.52118917
+_cell_angle_alpha   89.99135285
+_cell_angle_beta   90.04322571
+_cell_angle_gamma   89.99661520
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   AlGaHg
+_chemical_formula_sum   'Al2 Ga2 Hg2'
+_cell_volume   124.23826656
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Al  Al4  1  0.85345110  0.48091724  0.70515743  1.0
+  Al  Al5  1  0.35348901  0.48091635  0.70490006  1.0
+  Ga  Ga2  1  0.60356286  0.98098498  0.96581000  1.0
+  Ga  Ga3  1  0.10301793  0.98117372  0.44430803  1.0
+  Hg  Hg0  1  0.60331371  0.48042456  0.33968000  1.0
+  Hg  Hg1  1  0.10393284  0.47932827  0.07037165  1.0
+data_agm003066519
+_entalpic_fingerprint   191ffb605381bd04d7d1aeda0c83b515_2_Ba2Y2Ga2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.14933194
+_cell_length_b   12.35347830
+_cell_length_c   4.30870560
+_cell_angle_alpha   79.94495882
+_cell_angle_beta   90.00087973
+_cell_angle_gamma   89.98991936
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   BaYGa
+_chemical_formula_sum   'Ba2 Y2 Ga2'
+_cell_volume   217.46628607
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ba  Ba2  1  0.16954180  0.93067844  0.47387635  1.0
+  Ba  Ba3  1  0.66878294  0.64356685  0.11780150  1.0
+  Y  Y0  1  0.16899554  0.40850857  0.73546493  1.0
+  Y  Y1  1  0.66920178  0.16572972  0.85638801  1.0
+  Ga  Ga4  1  0.66897538  0.35813530  0.26064598  1.0
+  Ga  Ga5  1  0.16905707  0.21613102  0.33136183  1.0
+data_agm001005569
+_entalpic_fingerprint   982cd90873634b91793c5bab7c303f6e_2_Ti2Nb2I2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.34348708
+_cell_length_b   4.76948210
+_cell_length_c   8.09695773
+_cell_angle_alpha   90.01723382
+_cell_angle_beta   90.00634229
+_cell_angle_gamma   89.97825964
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   TiNbI
+_chemical_formula_sum   'Ti2 Nb2 I2'
+_cell_volume   129.11975432
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ti  Ti2  1  0.75018468  0.75001395  0.53650816  1.0
+  Ti  Ti3  1  0.24981532  0.24998605  0.46349184  1.0
+  Nb  Nb0  1  0.24919947  0.75075969  0.26150408  1.0
+  Nb  Nb1  1  0.75080053  0.24924031  0.73849592  1.0
+  I  I4  1  0.25052531  0.74952250  0.84553917  1.0
+  I  I5  1  0.74947469  0.25047750  0.15446083  1.0
+data_agm003149720
+_entalpic_fingerprint   b60de84aaed960ff5c77b060e59bc8a3_2_Ti2Tl2Au2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   6.68419577
+_cell_length_b   3.16847297
+_cell_length_c   6.02571898
+_cell_angle_alpha   90.00053095
+_cell_angle_beta   89.94378700
+_cell_angle_gamma   76.30863941
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   TiTlAu
+_chemical_formula_sum   'Ti2 Tl2 Au2'
+_cell_volume   123.99053681
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ti  Ti4  1  0.87565955  0.44581804  0.85781132  1.0
+  Ti  Ti5  1  0.87566431  0.44581681  0.35781789  1.0
+  Tl  Tl0  1  0.22252975  0.77186393  0.10748201  1.0
+  Tl  Tl1  1  0.52881593  0.11966936  0.60815806  1.0
+  Au  Au2  1  0.61625564  0.07544144  0.10810053  1.0
+  Au  Au3  1  0.13507902  0.81621483  0.60754646  1.0
+data_agm004356314
+_entalpic_fingerprint   8c260738dde8cf4ab1a5d2c28464b4a8_8_Zr1Si2P1
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.41620866
+_cell_length_b   5.41620866
+_cell_length_c   3.80815654
+_cell_angle_alpha   89.94590971
+_cell_angle_beta   89.94590972
+_cell_angle_gamma   38.29988389
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ZrSi2P
+_chemical_formula_sum   'Zr1 Si2 P1'
+_cell_volume   69.23745802
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Zr  Zr3  1  0.54475074  0.54475074  0.37495982  1.0
+  Si  Si1  1  0.96384089  0.96384089  0.87513965  1.0
+  Si  Si2  1  0.73873799  0.73873799  0.87426388  1.0
+  P  P0  1  0.25267039  0.25267039  0.37563664  1.0
+data_agm2000083101
+_entalpic_fingerprint   269a2dca4668166826837f6c263cb26e_7_Mn2In2P2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.73862028
+_cell_length_b   7.24987054
+_cell_length_c   17.29465296
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   MnInP
+_chemical_formula_sum   'Mn2 In2 P2'
+_cell_volume   468.76314647
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Mn  Mn2  1  0.48769000  0.05741481  0.56810995  1.0
+  Mn  Mn3  1  0.51231000  0.55741481  0.56810995  1.0
+  In  In4  1  0.99930000  0.30743285  0.49646000  1.0
+  In  In5  1  0.00070000  0.80743285  0.49646000  1.0
+  P  P0  1  0.57228000  0.55805120  0.43543004  1.0
+  P  P1  1  0.42772000  0.05805120  0.43543004  1.0
+data_agm003071263
+_entalpic_fingerprint   f8866ac15ab8c22d9b15f0864dd78dc1_11_Hf6Cd2H2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.97582471
+_cell_length_b   9.56751446
+_cell_length_c   3.27695388
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   74.04606757
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Hf3CdH
+_chemical_formula_sum   'Hf6 Cd2 H2'
+_cell_volume   180.13948583
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Hf  Hf2  1  0.75702005  0.47253018  0.87144593  1.0
+  Hf  Hf3  1  0.24297995  0.52746982  0.12855407  1.0
+  Hf  Hf4  1  0.75702005  0.02746982  0.87144593  1.0
+  Hf  Hf5  1  0.24297995  0.97253018  0.12855407  1.0
+  Hf  Hf6  1  0.44578945  0.25000000  0.52665756  1.0
+  Hf  Hf7  1  0.55421055  0.75000000  0.47334244  1.0
+  Cd  Cd8  1  0.00648952  0.25000000  0.24647539  1.0
+  Cd  Cd9  1  0.99351048  0.75000000  0.75352461  1.0
+  H  H0  1  0.65685321  0.25000000  0.92105457  1.0
+  H  H1  1  0.34314679  0.75000000  0.07894543  1.0
+data_agm003078260
+_entalpic_fingerprint   9ebb6dfcb67118e7d8383886e98f068e_9_Mn2H2S4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   12.67906558
+_cell_length_b   6.69715108
+_cell_length_c   6.69715108
+_cell_angle_alpha   70.31943359
+_cell_angle_beta   123.31089399
+_cell_angle_gamma   56.68910601
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   MnHS2
+_chemical_formula_sum   'Mn2 H2 S4'
+_cell_volume   161.08512219
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Mn  Mn6  1  0.32283460  0.11298388  0.38692315  1.0
+  Mn  Mn7  1  0.82283460  0.11307685  0.38701612  1.0
+  H  H0  1  0.01550612  0.12744098  0.28813907  1.0
+  H  H1  1  0.51550612  0.21186093  0.37255902  1.0
+  S  S2  1  0.36852022  0.92421772  0.78854581  1.0
+  S  S3  1  0.86852022  0.71145419  0.57578228  1.0
+  S  S4  1  0.31043905  0.48115461  0.23128915  1.0
+  S  S5  1  0.81043905  0.26871085  0.01884539  1.0
+data_agm2000085706
+_entalpic_fingerprint   c622b41ec57b96b9557839a5e90453ce_8_Zr2Tl6Br2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   8.50180855
+_cell_length_b   6.08247423
+_cell_length_c   18.29349858
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   89.99999787
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ZrTl3Br
+_chemical_formula_sum   'Zr2 Tl6 Br2'
+_cell_volume   945.99397324
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Zr  Zr8  1  0.00000001  0.93825510  0.54248212  1.0
+  Zr  Zr9  1  0.50000001  0.43825493  0.54248236  1.0
+  Tl  Tl0  1  0.83220343  0.43773369  0.57806669  1.0
+  Tl  Tl1  1  0.16779659  0.43773367  0.57806669  1.0
+  Tl  Tl2  1  0.33220338  0.93773364  0.57806658  1.0
+  Tl  Tl3  1  0.66779663  0.93773363  0.57806657  1.0
+  Tl  Tl4  1  0.00000003  0.43880437  0.40335399  1.0
+  Tl  Tl5  1  0.50000003  0.93879844  0.40335430  1.0
+  Br  Br6  1  0.99999999  0.93885915  0.39803058  1.0
+  Br  Br7  1  0.50000000  0.43885629  0.39803013  1.0
+data_agm001020790
+_entalpic_fingerprint   969d746cf1b3e5e54e6b943b88737e18_11_Mn4Cd4Rh4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.45854560
+_cell_length_b   6.47852248
+_cell_length_c   6.90884859
+_cell_angle_alpha   76.36890241
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   MnCdRh
+_chemical_formula_sum   'Mn4 Cd4 Rh4'
+_cell_volume   193.93964844
+_cell_formula_units_Z   4
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Mn  Mn8  1  0.25000447  0.53519136  0.35989720  1.0
+  Mn  Mn9  1  0.75000447  0.96480864  0.64010280  1.0
+  Mn  Mn10  1  0.74999553  0.46480864  0.64010280  1.0
+  Mn  Mn11  1  0.24999553  0.03519136  0.35989720  1.0
+  Cd  Cd4  1  0.25000160  0.87064452  0.01720331  1.0
+  Cd  Cd5  1  0.75000160  0.62935548  0.98279669  1.0
+  Cd  Cd6  1  0.74999840  0.12935548  0.98279669  1.0
+  Cd  Cd7  1  0.24999840  0.37064452  0.01720331  1.0
+  Rh  Rh0  1  0.25001008  0.70919949  0.66235298  1.0
+  Rh  Rh1  1  0.75001008  0.79080051  0.33764702  1.0
+  Rh  Rh2  1  0.74998992  0.29080051  0.33764702  1.0
+  Rh  Rh3  1  0.24998992  0.20919949  0.66235298  1.0
+data_agm003125767
+_entalpic_fingerprint   ae0b8cb4dae5a79120e44d029318d68a_1_Tl2Ni2O4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   6.29381490
+_cell_length_b   2.87174919
+_cell_length_c   6.29433837
+_cell_angle_alpha   90.03298302
+_cell_angle_beta   90.00093224
+_cell_angle_gamma   89.96238323
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   TlNiO2
+_chemical_formula_sum   'Tl2 Ni2 O4'
+_cell_volume   113.76545126
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Tl  Tl2  1  0.07525384  0.17799576  0.70767703  1.0
+  Tl  Tl3  1  0.57540265  0.17832994  0.20804195  1.0
+  Ni  Ni0  1  0.07551046  0.56064887  0.20753336  1.0
+  Ni  Ni1  1  0.57519830  0.79553177  0.70816376  1.0
+  O  O4  1  0.21445123  0.05983679  0.34639046  1.0
+  O  O5  1  0.43647262  0.29670225  0.84727831  1.0
+  O  O6  1  0.93631576  0.05989209  0.06888258  1.0
+  O  O7  1  0.71377624  0.29594053  0.56895995  1.0
+data_agm002289753
+_entalpic_fingerprint   3d145f15e3163d38e6ee144541fe6380_1_Ba1Mn1Tl3
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.92099318
+_cell_length_b   4.92106148
+_cell_length_c   7.26543303
+_cell_angle_alpha   109.79557052
+_cell_angle_beta   109.83578930
+_cell_angle_gamma   90.09893479
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   BaMnTl3
+_chemical_formula_sum   'Ba1 Mn1 Tl3'
+_cell_volume   154.36609386
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ba  Ba4  1  0.00006237  0.99997767  0.99999837  1.0
+  Mn  Mn3  1  0.25040685  0.75041678  0.50003565  1.0
+  Tl  Tl0  1  0.38127648  0.38219614  0.76295238  1.0
+  Tl  Tl1  1  0.61886026  0.61795427  0.23704014  1.0
+  Tl  Tl2  1  0.74928504  0.24959814  0.49998646  1.0
+data_agm003131914
+_entalpic_fingerprint   ec3aaaed53f90161a173a164550a7fe8_1_Ba2Ag2P2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.52839873
+_cell_length_b   4.52844898
+_cell_length_c   8.42617898
+_cell_angle_alpha   105.57024337
+_cell_angle_beta   74.41804806
+_cell_angle_gamma   90.00196814
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   BaAgP
+_chemical_formula_sum   'Ba2 Ag2 P2'
+_cell_volume   159.84948523
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ba  Ba2  1  0.88618597  0.14723565  0.45634659  1.0
+  Ba  Ba3  1  0.13608614  0.39680173  0.95635055  1.0
+  Ag  Ag4  1  0.30187303  0.73134198  0.62528542  1.0
+  Ag  Ag5  1  0.55161085  0.98064019  0.12527789  1.0
+  P  P0  1  0.46881919  0.56347770  0.29031282  1.0
+  P  P1  1  0.71930900  0.81473853  0.79030989  1.0
+data_agm003055206
+_entalpic_fingerprint   194470099647f5affbae1a1783a42ba5_4_Ca2Ni2Te2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.39739148
+_cell_length_b   6.77695615
+_cell_length_c   4.39789829
+_cell_angle_alpha   90.02276059
+_cell_angle_beta   90.00523593
+_cell_angle_gamma   89.99746726
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   CaNiTe
+_chemical_formula_sum   'Ca2 Ni2 Te2'
+_cell_volume   131.06144470
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ca  Ca2  1  0.10326695  0.61144031  0.69181872  1.0
+  Ca  Ca3  1  0.60326352  0.21082024  0.19194997  1.0
+  Ni  Ni0  1  0.60395684  0.91130592  0.69210339  1.0
+  Ni  Ni1  1  0.10365761  0.91130181  0.19097656  1.0
+  Te  Te4  1  0.60323548  0.69108862  0.19205748  1.0
+  Te  Te5  1  0.10335548  0.13115340  0.69166806  1.0
+data_oqmd-7988274
+_entalpic_fingerprint
+922ead0e80e81b003962daa206865113_6_Sr4Li2H12Ir2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.44805852
+_cell_length_b   5.44887621
+_cell_length_c   7.64873277
+_cell_angle_alpha   90.00341737
+_cell_angle_beta   90.00035320
+_cell_angle_gamma   90.01659790
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Sr2LiH6Ir
+_chemical_formula_sum   'Sr4 Li2 H12 Ir2'
+_cell_volume   227.05871425
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sr  Sr16  1  0.94998065  0.55012705  0.25000089  1.0
+  Sr  Sr17  1  0.45000628  0.04990645  0.25001919  1.0
+  Sr  Sr18  1  0.95000699  0.55008632  0.74997652  1.0
+  Sr  Sr19  1  0.45001244  0.04987307  0.74999483  1.0
+  Li  Li14  1  0.45001500  0.54993177  0.00000000  1.0
+  Li  Li15  1  0.94998660  0.05007053  0.49999917  1.0
+  H  H0  1  0.17972688  0.81885697  0.00015297  1.0
+  H  H1  1  0.18149435  0.27991463  0.00023141  1.0
+  H  H2  1  0.94961353  0.05018564  0.23090622  1.0
+  H  H3  1  0.45030920  0.55000018  0.26908640  1.0
+  H  H4  1  0.21774913  0.32083461  0.49972853  1.0
+  H  H5  1  0.22100309  0.78188935  0.49993510  1.0
+  H  H6  1  0.67889780  0.31762847  0.50006323  1.0
+  H  H7  1  0.68219216  0.77872542  0.50027111  1.0
+  H  H8  1  0.44965045  0.54958371  0.73091193  1.0
+  H  H9  1  0.95042583  0.05023621  0.76909603  1.0
+  H  H10  1  0.71856099  0.82053549  0.99977215  1.0
+  H  H11  1  0.72036335  0.28162251  0.99984929  1.0
+  Ir  Ir12  1  0.95003556  0.05026358  0.00000000  1.0
+  Ir  Ir13  1  0.44996420  0.54973138  0.49999786  1.0
+data_oqmd-9546250
+_entalpic_fingerprint   064edf4eb3f4edfd868d05200198e1d4_5_Li2Zn1Pd1
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.28103496
+_cell_length_b   4.28307116
+_cell_length_c   4.28628053
+_cell_angle_alpha   119.51520958
+_cell_angle_beta   119.50029699
+_cell_angle_gamma   90.77600049
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Li2ZnPd
+_chemical_formula_sum   'Li2 Zn1 Pd1'
+_cell_volume   56.01940824
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Li  Li0  1  0.93729965  0.81233040  0.12463329  1.0
+  Li  Li1  1  0.68803633  0.06302802  0.62606292  1.0
+  Zn  Zn3  1  0.43758673  0.31256530  0.12515040  1.0
+  Pd  Pd2  1  0.18707364  0.56207925  0.62415485  1.0
+data_agm002245453
+_entalpic_fingerprint   56c9faa6e7463a56d8084ff50daa0564_15_V4Ga4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.51046241
+_cell_length_b   3.51042241
+_cell_length_c   9.89064155
+_cell_angle_alpha   100.20009079
+_cell_angle_beta   100.20016865
+_cell_angle_gamma   89.99182292
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   VGa
+_chemical_formula_sum   'V4 Ga4'
+_cell_volume   118.00081514
+_cell_formula_units_Z   4
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  V  V4  1  0.32617419  0.57573816  0.15267933  1.0
+  V  V5  1  0.07574026  0.82617673  0.65268315  1.0
+  V  V6  1  0.67382581  0.42426184  0.84732067  1.0
+  V  V7  1  0.92425974  0.17382327  0.34731685  1.0
+  Ga  Ga0  1  0.45672792  0.70610931  0.41194159  1.0
+  Ga  Ga1  1  0.20611090  0.95672952  0.91194409  1.0
+  Ga  Ga2  1  0.54327208  0.29389069  0.58805841  1.0
+  Ga  Ga3  1  0.79388910  0.04327048  0.08805591  1.0
+data_agm2000084462
+_entalpic_fingerprint   37d873b330d209897452101123f278d5_8_Cd4As2I2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   6.55032227
+_cell_length_b   6.54593146
+_cell_length_c   18.52857579
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   89.99999711
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Cd2AsI
+_chemical_formula_sum   'Cd4 As2 I2'
+_cell_volume   794.46754307
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Cd  Cd4  1  0.75005329  0.40471893  0.48873437  1.0
+  Cd  Cd5  1  0.24994671  0.40471889  0.48873437  1.0
+  Cd  Cd6  1  0.25005329  0.90471894  0.48873437  1.0
+  Cd  Cd7  1  0.74994671  0.90471890  0.48873437  1.0
+  As  As2  1  0.00000000  0.15456567  0.41604580  1.0
+  As  As3  1  0.50000000  0.65456567  0.41604579  1.0
+  I  I0  1  0.00000024  0.65383912  0.60648546  1.0
+  I  I1  1  0.49999976  0.15383900  0.60648546  1.0
+data_agm2000007244
+_entalpic_fingerprint   bb203de540a4150d54fba94588f6a3ab_10_Rb2Tl2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   7.32781055
+_cell_length_b   7.32982055
+_cell_length_c   17.89616158
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   RbTl
+_chemical_formula_sum   'Rb2 Tl2'
+_cell_volume   961.23033334
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Rb  Rb2  1  0.65584500  0.83538071  0.50000000  1.0
+  Rb  Rb3  1  0.15539969  0.33538071  0.50000000  1.0
+  Tl  Tl0  1  0.15574765  0.83501405  0.58091572  1.0
+  Tl  Tl1  1  0.15574765  0.83574737  0.41908428  1.0
+data_agm001062144
+_entalpic_fingerprint   0add749d5f73a9503a35be597c8657de_12_V2In2Fe2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.94827400
+_cell_length_b   3.94827400
+_cell_length_c   6.16341603
+_cell_angle_alpha   89.95223753
+_cell_angle_beta   89.95223750
+_cell_angle_gamma   89.99768671
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   VInFe
+_chemical_formula_sum   'V2 In2 Fe2'
+_cell_volume   96.08060948
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  V  V2  1  0.75028264  0.75028264  0.79356812  1.0
+  V  V3  1  0.24971736  0.24971736  0.20643188  1.0
+  In  In0  1  0.74955173  0.74955173  0.32944374  1.0
+  In  In1  1  0.25044827  0.25044827  0.67055626  1.0
+  Fe  Fe4  1  0.25002566  0.74997434  0.00000000  1.0
+  Fe  Fe5  1  0.74997434  0.25002566  0.00000000  1.0
+data_agm1000015639
+_entalpic_fingerprint   fccd836a65c65aae0d0a5999882f95e9_1_In3F3
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   17.26358985
+_cell_length_b   17.26358985
+_cell_length_c   3.43791365
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   119.99999999
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   InF
+_chemical_formula_sum   'In3 F3'
+_cell_volume   887.33541439
+_cell_formula_units_Z   3
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  In  In3  1  0.64776928  0.60197329  0.50028475  1.0
+  In  In4  1  0.39802973  0.54585718  0.83252137  1.0
+  In  In5  1  0.45413638  0.35210953  0.16668128  1.0
+  F  F0  1  0.58420401  0.48628109  0.04927967  1.0
+  F  F1  1  0.51368093  0.59801950  0.38092473  1.0
+  F  F2  1  0.40217967  0.41575943  0.71479920  1.0
+data_agm1000018597
+_entalpic_fingerprint   770e6e1257f234bac125045a150ef579_1_V6Se6
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   18.60619374
+_cell_length_b   18.60619373
+_cell_length_c   3.01199685
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   120.00000001
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   VSe
+_chemical_formula_sum   'V6 Se6'
+_cell_volume   903.02593269
+_cell_formula_units_Z   6
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  V  V6  1  0.66009390  0.60745621  0.74621516  1.0
+  V  V7  1  0.39257545  0.55266794  0.41417388  1.0
+  V  V8  1  0.44731673  0.33988317  0.08101366  1.0
+  V  V9  1  0.41691778  0.44431367  0.74803220  1.0
+  V  V10  1  0.55568982  0.47258648  0.41436886  1.0
+  V  V11  1  0.52740707  0.58307509  0.08104517  1.0
+  Se  Se0  1  0.66403398  0.71386770  0.24439431  1.0
+  Se  Se1  1  0.28617843  0.45016369  0.91270137  1.0
+  Se  Se2  1  0.54983683  0.33601623  0.57960190  1.0
+  Se  Se3  1  0.32728103  0.29066175  0.58126440  1.0
+  Se  Se4  1  0.70928670  0.53660492  0.24608297  1.0
+  Se  Se5  1  0.46338227  0.67270314  0.91433812  1.0
+data_agm1000015795
+_entalpic_fingerprint   821fd5bea1129879a6519927a67e89a7_1_Li3Cl3
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   16.96597462
+_cell_length_b   16.96597462
+_cell_length_c   3.85292232
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   120.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   LiCl
+_chemical_formula_sum   'Li3 Cl3'
+_cell_volume   960.45829311
+_cell_formula_units_Z   3
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Li  Li3  1  0.59688163  0.50767688  0.61652633  1.0
+  Li  Li4  1  0.49241354  0.58892720  0.95027499  1.0
+  Li  Li5  1  0.41066957  0.40322476  0.28320698  1.0
+  Cl  Cl0  1  0.62951462  0.59386171  0.10911013  1.0
+  Cl  Cl1  1  0.40612217  0.53556656  0.44271666  1.0
+  Cl  Cl2  1  0.46439846  0.37074289  0.77553592  1.0
+data_agm1000018753
+_entalpic_fingerprint   5ba6214182f39ee400ddbb9cc1734354_1_Sc6P6
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   17.58711998
+_cell_length_b   17.58711998
+_cell_length_c   7.35712706
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   120.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ScP
+_chemical_formula_sum   'Sc6 P6'
+_cell_volume   1970.73550498
+_cell_formula_units_Z   6
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sc  Sc6  1  0.57753735  0.53261317  0.06970474  1.0
+  Sc  Sc7  1  0.46719874  0.54475054  0.73662631  1.0
+  Sc  Sc8  1  0.45513509  0.42252824  0.40310672  1.0
+  Sc  Sc9  1  0.38742927  0.35076351  0.85249168  1.0
+  Sc  Sc10  1  0.64912353  0.53673549  0.51910307  1.0
+  Sc  Sc11  1  0.46355037  0.61269740  0.18532746  1.0
+  P  P0  1  0.57027778  0.66893529  0.94414777  1.0
+  P  P1  1  0.33097629  0.40090857  0.61115308  1.0
+  P  P2  1  0.59896068  0.43002505  0.27793979  1.0
+  P  P3  1  0.55648929  0.60039269  0.42291661  1.0
+  P  P4  1  0.39963011  0.45632868  0.08933764  1.0
+  P  P5  1  0.54369151  0.44332137  0.75603113  1.0
+data_agm1000016654
+_entalpic_fingerprint   6fd851ac8413e9d966fd3a4994972271_1_V6As6
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   18.77724096
+_cell_length_b   18.77724096
+_cell_length_c   2.63786740
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   120.00000001
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   VAs
+_chemical_formula_sum   'V6 As6'
+_cell_volume   805.46588557
+_cell_formula_units_Z   6
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  V  V6  1  0.57433568  0.58493062  0.66347513  1.0
+  V  V7  1  0.41505954  0.48938642  0.99770306  1.0
+  V  V8  1  0.51056061  0.42571480  0.33062703  1.0
+  V  V9  1  0.36436851  0.34508516  0.16442011  1.0
+  V  V10  1  0.65489329  0.51931369  0.49615977  1.0
+  V  V11  1  0.48073716  0.63559238  0.83136601  1.0
+  As  As0  1  0.61189972  0.73218997  0.27267286  1.0
+  As  As1  1  0.26777189  0.37962396  0.60663105  1.0
+  As  As2  1  0.62019601  0.38810645  0.93770280  1.0
+  As  As3  1  0.42813557  0.27292936  0.72340683  1.0
+  As  As4  1  0.72721255  0.65518225  0.05426013  1.0
+  As  As5  1  0.34482946  0.57194492  0.38994423  1.0
+data_agm1000015858
+_entalpic_fingerprint   9b37fbba56c64b928b0261e9470f48af_1_V3Te3
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   17.77413754
+_cell_length_b   17.77413754
+_cell_length_c   3.25044192
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   120.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   VTe
+_chemical_formula_sum   'V3 Te3'
+_cell_volume   889.30373237
+_cell_formula_units_Z   3
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  V  V3  1  0.56826995  0.56129855  0.60573964  1.0
+  V  V4  1  0.43860016  0.50689738  0.93941658  1.0
+  V  V5  1  0.49307579  0.43166397  0.27132264  1.0
+  Te  Te0  1  0.66312068  0.51519902  0.09118841  1.0
+  Te  Te1  1  0.48491566  0.64793472  0.42469826  1.0
+  Te  Te2  1  0.35201776  0.33700636  0.75643446  1.0
+data_oqmd-6460130
+_entalpic_fingerprint   4ad4947a41a4756cd368f812e3e7703a_1_Zr1Cd1As3
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   2.87914328
+_cell_length_b   6.91528941
+_cell_length_c   6.91604589
+_cell_angle_alpha   60.01807881
+_cell_angle_beta   89.89321299
+_cell_angle_gamma   89.81312996
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ZrCdAs3
+_chemical_formula_sum   'Zr1 Cd1 As3'
+_cell_volume   119.27210910
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Zr  Zr4  1  0.30014065  0.66636159  0.66666667  1.0
+  Cd  Cd3  1  0.76153261  0.00037743  0.00000000  1.0
+  As  As0  1  0.79986581  0.36414743  0.05110038  1.0
+  As  As1  1  0.80056156  0.58534121  0.36359026  1.0
+  As  As2  1  0.79771181  0.05037416  0.58551100  1.0
+data_agm002302713
+_entalpic_fingerprint   68df0ab3351de7f42b79b0ee09bd3b85_2_Al2Pb2O6
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.25780086
+_cell_length_b   5.25610282
+_cell_length_c   6.11474860
+_cell_angle_alpha   64.62971378
+_cell_angle_beta   64.52775196
+_cell_angle_gamma   60.03249712
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   AlPbO3
+_chemical_formula_sum   'Al2 Pb2 O6'
+_cell_volume   127.13592133
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Al  Al2  1  0.33788456  0.33828183  0.98585960  1.0
+  Al  Al3  1  0.66211544  0.66171817  0.01414040  1.0
+  Pb  Pb0  1  0.12487128  0.12375542  0.62681286  1.0
+  Pb  Pb1  1  0.87512872  0.87624458  0.37318714  1.0
+  O  O4  1  0.45416858  0.68347965  0.80476158  1.0
+  O  O5  1  0.68394123  0.05727634  0.80518858  1.0
+  O  O6  1  0.94197231  0.54690553  0.19513183  1.0
+  O  O7  1  0.05802769  0.45309447  0.80486817  1.0
+  O  O8  1  0.31605877  0.94272366  0.19481142  1.0
+  O  O9  1  0.54583142  0.31652035  0.19523842  1.0
+data_oqmd-2027563
+_entalpic_fingerprint
+f5998a443fce1a45fe96d88f98de7fad_1_Li3Mn3Fe3F18
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   8.47187520
+_cell_length_b   8.46851574
+_cell_length_c   4.51048076
+_cell_angle_alpha   90.00116266
+_cell_angle_beta   89.94208626
+_cell_angle_gamma   119.99318361
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   LiMnFeF6
+_chemical_formula_sum   'Li3 Mn3 Fe3 F18'
+_cell_volume   280.26563587
+_cell_formula_units_Z   3
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Li  Li21  1  0.00000000  0.99989405  0.00000000  1.0
+  Li  Li22  1  0.66680359  0.33337516  0.49662795  1.0
+  Li  Li23  1  0.33342127  0.66677669  0.50340377  1.0
+  Mn  Mn24  1  0.35348012  0.00000000  0.00017965  1.0
+  Mn  Mn25  1  0.00000000  0.35351510  0.00022615  1.0
+  Mn  Mn26  1  0.64627012  0.64645153  0.99957981  1.0
+  Fe  Fe18  1  0.99981144  0.68836643  0.49974688  1.0
+  Fe  Fe19  1  0.68823844  0.00000000  0.50000455  1.0
+  Fe  Fe20  1  0.31153763  0.31165203  0.50027623  1.0
+  F  F0  1  0.21849454  0.10424696  0.23733963  1.0
+  F  F1  1  0.89562872  0.11434587  0.23735489  1.0
+  F  F2  1  0.88533120  0.78066624  0.23743706  1.0
+  F  F3  1  0.88739826  0.46126567  0.26146200  1.0
+  F  F4  1  0.57387034  0.11250139  0.26172349  1.0
+  F  F5  1  0.53838429  0.42578207  0.26207117  1.0
+  F  F6  1  0.55617347  0.77338770  0.26398306  1.0
+  F  F7  1  0.21742637  0.44397475  0.26424219  1.0
+  F  F8  1  0.22701819  0.78298915  0.26440134  1.0
+  F  F9  1  0.77303545  0.55604683  0.73559480  1.0
+  F  F10  1  0.78255117  0.22653668  0.73573034  1.0
+  F  F11  1  0.44379899  0.21711561  0.73606423  1.0
+  F  F12  1  0.46143731  0.88738984  0.73802447  1.0
+  F  F13  1  0.11257864  0.57412356  0.73811168  1.0
+  F  F14  1  0.42627577  0.53892684  0.73866089  1.0
+  F  F15  1  0.78165579  0.88609005  0.76220865  1.0
+  F  F16  1  0.10462580  0.21892865  0.76236714  1.0
+  F  F17  1  0.11485855  0.89566105  0.76314174  1.0
+data_agm1000018497
+_entalpic_fingerprint   f95ce73be3f22577434dfab373685663_1_Sc6N6
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   16.90143167
+_cell_length_b   16.90143168
+_cell_length_c   6.72111719
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   120.00000001
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ScN
+_chemical_formula_sum   'Sc6 N6'
+_cell_volume   1662.71987359
+_cell_formula_units_Z   6
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sc  Sc6  1  0.62855770  0.55069665  0.99618152  1.0
+  Sc  Sc7  1  0.44962042  0.57803261  0.32957786  1.0
+  Sc  Sc8  1  0.42188197  0.37141548  0.66294053  1.0
+  Sc  Sc9  1  0.47052420  0.54953934  0.85685494  1.0
+  Sc  Sc10  1  0.45057063  0.42110290  0.19026949  1.0
+  Sc  Sc11  1  0.57886909  0.52924817  0.52403836  1.0
+  N  N0  1  0.56455178  0.56719840  0.24106269  1.0
+  N  N1  1  0.43265366  0.49710608  0.57399625  1.0
+  N  N2  1  0.50292863  0.43565347  0.90716008  1.0
+  N  N3  1  0.38666064  0.49798763  0.11066101  1.0
+  N  N4  1  0.50189070  0.38845605  0.44402737  1.0
+  N  N5  1  0.61129059  0.61356324  0.77731791  1.0
+data_agm1000019154
+_entalpic_fingerprint   5849682107a37b8e9ca2cb8cba626407_4_Tl6P6
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   17.77785576
+_cell_length_b   17.77785577
+_cell_length_c   6.67306294
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   119.99999999
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   TlP
+_chemical_formula_sum   'Tl6 P6'
+_cell_volume   1826.47869016
+_cell_formula_units_Z   6
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Tl  Tl6  1  0.56735406  0.43293553  0.80373202  1.0
+  Tl  Tl7  1  0.56725621  0.63446934  0.80341673  1.0
+  Tl  Tl8  1  0.36570157  0.43277267  0.80368683  1.0
+  Tl  Tl9  1  0.43252338  0.56694707  0.30349820  1.0
+  Tl  Tl10  1  0.43285071  0.36554059  0.30365911  1.0
+  Tl  Tl11  1  0.63429632  0.56730687  0.30352632  1.0
+  P  P0  1  0.40984348  0.59011805  0.92892560  1.0
+  P  P1  1  0.41001266  0.31968712  0.92905958  1.0
+  P  P2  1  0.68041842  0.59031479  0.92913278  1.0
+  P  P3  1  0.59029772  0.41002039  0.42911788  1.0
+  P  P4  1  0.58987157  0.68030185  0.42881437  1.0
+  P  P5  1  0.31957392  0.40958572  0.42926359  1.0
+data_oqmd-9220158
+_entalpic_fingerprint   51202a4ee7b55aab694bb9e1999440d7_15_Mn12P6N6
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.22540410
+_cell_length_b   5.22540410
+_cell_length_c   11.14231020
+_cell_angle_alpha   103.57486751
+_cell_angle_beta   103.57486751
+_cell_angle_gamma   60.01073542
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Mn2PN
+_chemical_formula_sum   'Mn12 P6 N6'
+_cell_volume   253.64361503
+_cell_formula_units_Z   6
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Mn  Mn0  1  0.70044034  0.86734389  0.10138711  1.0
+  Mn  Mn1  1  0.03409771  0.20022824  0.10139178  1.0
+  Mn  Mn2  1  0.36711128  0.53392681  0.10185237  1.0
+  Mn  Mn3  1  0.46607261  0.63288814  0.39814721  1.0
+  Mn  Mn4  1  0.79977228  0.96590281  0.39860781  1.0
+  Mn  Mn5  1  0.13265553  0.29955907  0.39861247  1.0
+  Mn  Mn6  1  0.86734426  0.70044071  0.60138763  1.0
+  Mn  Mn7  1  0.20022861  0.03409808  0.60139229  1.0
+  Mn  Mn8  1  0.53392718  0.36711165  0.60185289  1.0
+  Mn  Mn9  1  0.63288851  0.46607297  0.89814773  1.0
+  Mn  Mn10  1  0.96590207  0.79977154  0.89860833  1.0
+  Mn  Mn11  1  0.29955944  0.13265589  0.89861299  1.0
+  P  P18  1  0.75046456  0.58331609  0.24988371  1.0
+  P  P19  1  0.08275247  0.91724725  0.25000026  1.0
+  P  P20  1  0.41668332  0.24953486  0.25011587  1.0
+  P  P21  1  0.58331646  0.75046493  0.74988423  1.0
+  P  P22  1  0.91724731  0.08275253  0.74999985  1.0
+  P  P23  1  0.24953523  0.41668369  0.75011639  1.0
+  N  N12  1  0.66628115  0.16754133  0.00000000  1.0
+  N  N13  1  0.00000000  0.49999899  0.00000000  1.0
+  N  N14  1  0.33371821  0.83245803  0.00000000  1.0
+  N  N15  1  0.16754138  0.66628121  0.49999959  1.0
+  N  N16  1  0.49999905  0.00000000  0.49999959  1.0
+  N  N17  1  0.83245840  0.33371858  0.50000052  1.0
+data_agm003069276
+_entalpic_fingerprint   35ace94ccf104f48c2e1c70bb8abfa40_4_Al2H2Pd6
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.65032904
+_cell_length_b   5.65366673
+_cell_length_c   4.50763443
+_cell_angle_alpha   89.99416107
+_cell_angle_beta   90.00629587
+_cell_angle_gamma   60.01263353
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   AlHPd3
+_chemical_formula_sum   'Al2 H2 Pd6'
+_cell_volume   124.72069611
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Al  Al2  1  0.06978469  0.23560940  0.07636619  1.0
+  Al  Al3  1  0.73669147  0.90241715  0.57634159  1.0
+  H  H0  1  0.40267715  0.56966518  0.75492330  1.0
+  H  H1  1  0.40381980  0.56827472  0.25491443  1.0
+  Pd  Pd4  1  0.19024480  0.43710742  0.58061570  1.0
+  Pd  Pd5  1  0.05868200  0.78165332  0.08056540  1.0
+  Pd  Pd6  1  0.27110791  0.91423963  0.58061733  1.0
+  Pd  Pd7  1  0.74777564  0.35639492  0.58072052  1.0
+  Pd  Pd8  1  0.61622530  0.70092083  0.08068598  1.0
+  Pd  Pd9  1  0.53535886  0.22378198  0.08066912  1.0
+data_agm001043847
+_entalpic_fingerprint   b063c6526e8bed1f9a377d31101341c6_38_As2Pd2Au2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.02912849
+_cell_length_b   3.03171654
+_cell_length_c   13.06707662
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   119.97176516
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   AsPdAu
+_chemical_formula_sum   'As2 Pd2 Au2'
+_cell_volume   103.95343636
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  As  As4  1  0.11091256  0.22182513  0.84337682  1.0
+  As  As5  1  0.11091256  0.22182513  0.15662318  1.0
+  Pd  Pd0  1  0.44369066  0.88738132  0.00000000  1.0
+  Pd  Pd1  1  0.44507086  0.89014173  0.50000000  1.0
+  Au  Au2  1  0.77800467  0.55600935  0.32889793  1.0
+  Au  Au3  1  0.77800467  0.55600935  0.67110207  1.0
+data_agm001047919
+_entalpic_fingerprint   359826b157a70bb2c7a47e9d71deccf2_38_Re2Bi2Ir2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   3.05396437
+_cell_length_b   3.05320061
+_cell_length_c   13.72300658
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   120.00827514
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ReBiIr
+_chemical_formula_sum   'Re2 Bi2 Ir2'
+_cell_volume   110.80592655
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Re  Re4  1  0.11160387  0.22320773  0.85343454  1.0
+  Re  Re5  1  0.11160387  0.22320773  0.14656546  1.0
+  Bi  Bi2  1  0.77726949  0.55453899  0.32913161  1.0
+  Bi  Bi3  1  0.77726949  0.55453899  0.67086839  1.0
+  Ir  Ir0  1  0.44500347  0.89000693  0.00000000  1.0
+  Ir  Ir1  1  0.44384581  0.88769162  0.50000000  1.0
+data_agm003054185
+_entalpic_fingerprint   7fd7cb700caa5640f745cc62ad9b35f4_63_Ca4Nb4Cu4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   8.13947045
+_cell_length_b   6.20765658
+_cell_length_c   4.69199561
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   CaNbCu
+_chemical_formula_sum   'Ca4 Nb4 Cu4'
+_cell_volume   237.07263718
+_cell_formula_units_Z   4
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ca  Ca4  1  0.00000000  0.00000000  0.00000000  1.0
+  Ca  Ca5  1  0.50000000  0.50000000  0.50000000  1.0
+  Ca  Ca6  1  0.50000000  0.00000000  0.50000000  1.0
+  Ca  Ca7  1  0.00000000  0.50000000  0.00000000  1.0
+  Nb  Nb0  1  0.33297733  0.25000000  0.99999607  1.0
+  Nb  Nb1  1  0.16702267  0.75000000  0.49999607  1.0
+  Nb  Nb2  1  0.66702267  0.75000000  0.00000393  1.0
+  Nb  Nb3  1  0.83297733  0.25000000  0.50000393  1.0
+  Cu  Cu8  1  0.66658849  0.25000000  0.00000900  1.0
+  Cu  Cu9  1  0.83341151  0.75000000  0.50000900  1.0
+  Cu  Cu10  1  0.33341151  0.75000000  0.99999100  1.0
+  Cu  Cu11  1  0.16658849  0.25000000  0.49999100  1.0
+data_agm003100051
+_entalpic_fingerprint   3b72f6b95d3a576cf48d8a4b9cbbfbe0_63_Mg4Nb4Au4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   8.12213737
+_cell_length_b   5.85484039
+_cell_length_c   4.69756164
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   MgNbAu
+_chemical_formula_sum   'Mg4 Nb4 Au4'
+_cell_volume   223.38699093
+_cell_formula_units_Z   4
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Mg  Mg8  1  0.00000000  0.00000000  0.00000000  1.0
+  Mg  Mg9  1  0.50000000  0.50000000  0.50000000  1.0
+  Mg  Mg10  1  0.50000000  0.00000000  0.50000000  1.0
+  Mg  Mg11  1  0.00000000  0.50000000  0.00000000  1.0
+  Nb  Nb0  1  0.33354869  0.25000000  0.99987199  1.0
+  Nb  Nb1  1  0.16645131  0.75000000  0.49987199  1.0
+  Nb  Nb2  1  0.66645131  0.75000000  0.00012801  1.0
+  Nb  Nb3  1  0.83354869  0.25000000  0.50012801  1.0
+  Au  Au4  1  0.66725674  0.25000000  0.00015743  1.0
+  Au  Au5  1  0.83274326  0.75000000  0.50015743  1.0
+  Au  Au6  1  0.33274326  0.75000000  0.99984257  1.0
+  Au  Au7  1  0.16725674  0.25000000  0.49984257  1.0
+data_agm002310303
+_entalpic_fingerprint   04720672022c42dca0a33f5528d640ea_63_Ta4Sn4Ru4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.65078584
+_cell_length_b   5.55699826
+_cell_length_c   8.05631626
+_cell_angle_alpha   89.97664313
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   TaSnRu
+_chemical_formula_sum   'Ta4 Sn4 Ru4'
+_cell_volume   208.21071371
+_cell_formula_units_Z   4
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ta  Ta8  1  0.25000000  0.50011487  0.74997573  1.0
+  Ta  Ta9  1  0.25000000  0.00009916  0.74998452  1.0
+  Ta  Ta10  1  0.75000000  0.99990127  0.25001512  1.0
+  Ta  Ta11  1  0.75000000  0.49988397  0.25002432  1.0
+  Sn  Sn4  1  0.75000000  0.75044603  0.91710829  1.0
+  Sn  Sn5  1  0.75000000  0.24978232  0.58291466  1.0
+  Sn  Sn6  1  0.25000000  0.75021956  0.41708961  1.0
+  Sn  Sn7  1  0.25000000  0.24955185  0.08288767  1.0
+  Ru  Ru0  1  0.75000000  0.25040893  0.91605500  1.0
+  Ru  Ru1  1  0.75000000  0.74979168  0.58395522  1.0
+  Ru  Ru2  1  0.25000000  0.25020952  0.41604532  1.0
+  Ru  Ru3  1  0.25000000  0.74958984  0.08394454  1.0
+data_agm002322456
+_entalpic_fingerprint   eb68b5dc31db71f2cf7ce69d7ca56461_62_Ti4Ni4Pb4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.50910450
+_cell_length_b   5.80473666
+_cell_length_c   7.80512675
+_cell_angle_alpha   89.99994842
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   TiNiPb
+_chemical_formula_sum   'Ti4 Ni4 Pb4'
+_cell_volume   204.29266912
+_cell_formula_units_Z   4
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ti  Ti8  1  0.75000000  0.50009261  0.24981840  1.0
+  Ti  Ti9  1  0.25000000  0.99991590  0.74982166  1.0
+  Ti  Ti10  1  0.25000000  0.49990830  0.75018073  1.0
+  Ti  Ti11  1  0.75000000  0.00008868  0.25017771  1.0
+  Ni  Ni4  1  0.75000000  0.74942430  0.91681128  1.0
+  Ni  Ni5  1  0.25000000  0.25056752  0.08318358  1.0
+  Ni  Ni6  1  0.75000000  0.24947891  0.58318962  1.0
+  Ni  Ni7  1  0.25000000  0.75052064  0.41681564  1.0
+  Pb  Pb0  1  0.25000000  0.75040501  0.08343816  1.0
+  Pb  Pb1  1  0.25000000  0.25039950  0.41656087  1.0
+  Pb  Pb2  1  0.75000000  0.74961363  0.58344550  1.0
+  Pb  Pb3  1  0.75000000  0.24958600  0.91655486  1.0
+data_agm002253399
+_entalpic_fingerprint   fd364a6da38301734bac67cb0b3c665f_63_Ba4As4Ir4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.25836285
+_cell_length_b   7.37253841
+_cell_length_c   9.94079019
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   BaAsIr
+_chemical_formula_sum   'Ba4 As4 Ir4'
+_cell_volume   312.09054810
+_cell_formula_units_Z   4
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ba  Ba8  1  0.25000000  0.75003819  0.50003035  1.0
+  Ba  Ba9  1  0.75000000  0.24996181  0.49996965  1.0
+  Ba  Ba10  1  0.75000000  0.25003819  0.99996965  1.0
+  Ba  Ba11  1  0.25000000  0.74996181  0.00003035  1.0
+  As  As0  1  0.25000000  0.41626239  0.74986127  1.0
+  As  As1  1  0.75000000  0.58373761  0.25013873  1.0
+  As  As2  1  0.75000000  0.91626239  0.75013873  1.0
+  As  As3  1  0.25000000  0.08373761  0.24986127  1.0
+  Ir  Ir4  1  0.25000000  0.41702061  0.24990792  1.0
+  Ir  Ir5  1  0.75000000  0.58297939  0.75009208  1.0
+  Ir  Ir6  1  0.75000000  0.91702061  0.25009208  1.0
+  Ir  Ir7  1  0.25000000  0.08297939  0.74990792  1.0
+data_agm004424424
+_entalpic_fingerprint   bc7dcc4407c06151a3756765749d41ba_5_Al1Ru1W2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.40687878
+_cell_length_b   4.40694439
+_cell_length_c   4.41128176
+_cell_angle_alpha   119.90520522
+_cell_angle_beta   119.90470126
+_cell_angle_gamma   90.17118449
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   AlRuW2
+_chemical_formula_sum   'Al1 Ru1 W2'
+_cell_volume   60.66181072
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Al  Al1  1  0.49993724  0.50006276  0.00000000  1.0
+  Ru  Ru0  1  0.74964440  0.25035560  0.50000000  1.0
+  W  W2  1  0.00045667  0.99954333  0.00000000  1.0
+  W  W3  1  0.24996169  0.75003831  0.50000000  1.0
+data_agm004320611
+_entalpic_fingerprint   174151d7bf776845fa7be9f85023874e_8_Sc1Mo2Pt1
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.53808106
+_cell_length_b   4.54134520
+_cell_length_c   4.53808106
+_cell_angle_alpha   119.99160180
+_cell_angle_beta   119.96824316
+_cell_angle_gamma   90.01415627
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ScMo2Pt
+_chemical_formula_sum   'Sc1 Mo2 Pt1'
+_cell_volume   66.16431520
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sc  Sc3  1  0.75000109  0.25004843  0.50004734  1.0
+  Mo  Mo0  1  0.00000043  0.99958827  0.99958784  1.0
+  Mo  Mo1  1  0.24999624  0.75079693  0.50080069  1.0
+  Pt  Pt2  1  0.50000224  0.49956637  0.99956413  1.0
+data_oqmd-3099572
+_entalpic_fingerprint   c256889acd7ea4340d2ad9f0a5d543d4_58_Y12In6Ag6
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.29966100
+_cell_length_b   7.49491100
+_cell_length_c   15.89909400
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Y2InAg
+_chemical_formula_sum   'Y12 In6 Ag6'
+_cell_volume   631.51976489
+_cell_formula_units_Z   6
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Y  Y12  1  0.50000179  0.25004566  0.00000000  1.0
+  Y  Y13  1  0.50000179  0.74995420  0.00000000  1.0
+  Y  Y14  1  0.00050947  0.24989756  0.16663968  1.0
+  Y  Y15  1  0.00050947  0.75009963  0.16663968  1.0
+  Y  Y16  1  0.50050749  0.25010170  0.33333333  1.0
+  Y  Y17  1  0.50050749  0.74989816  0.33333333  1.0
+  Y  Y18  1  0.00000000  0.24995360  0.50000019  1.0
+  Y  Y19  1  0.00000000  0.75004626  0.50000019  1.0
+  Y  Y20  1  0.49949233  0.25010170  0.66666667  1.0
+  Y  Y21  1  0.49949233  0.74989816  0.66666667  1.0
+  Y  Y22  1  0.99949034  0.24989756  0.83336132  1.0
+  Y  Y23  1  0.99949034  0.75009963  0.83336132  1.0
+  In  In6  1  0.00000000  0.50000060  0.00000000  1.0
+  In  In7  1  0.50045088  0.00000000  0.16667931  1.0
+  In  In8  1  0.00045097  0.50000060  0.33333333  1.0
+  In  In9  1  0.50000179  0.00000000  0.50000019  1.0
+  In  In10  1  0.99954884  0.50000060  0.66666667  1.0
+  In  In11  1  0.49954893  0.00000000  0.83332107  1.0
+  Ag  Ag0  1  0.00000000  0.00000000  0.00000000  1.0
+  Ag  Ag1  1  0.50129055  0.50000060  0.16658245  1.0
+  Ag  Ag2  1  0.00129254  0.00000000  0.33341900  1.0
+  Ag  Ag3  1  0.50000179  0.50000060  0.50000019  1.0
+  Ag  Ag4  1  0.99870728  0.00000000  0.66658201  1.0
+  Ag  Ag5  1  0.49870548  0.50000060  0.83341793  1.0
+data_oqmd-2996895
+_entalpic_fingerprint
+e2680521114d5bf1ed73d148709d13fd_71_Sc12Tc6Hg6
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.73608700
+_cell_length_b   6.69951600
+_cell_length_c   14.21256600
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00181438
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Sc2TcHg
+_chemical_formula_sum   'Sc12 Tc6 Hg6'
+_cell_volume   450.95747955
+_cell_formula_units_Z   6
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sc  Sc6  1  0.49999926  0.24987925  0.00000000  1.0
+  Sc  Sc7  1  0.49999926  0.75012135  0.00000000  1.0
+  Sc  Sc8  1  0.00000000  0.24993597  0.16669333  1.0
+  Sc  Sc9  1  0.00000000  0.75006463  0.16669333  1.0
+  Sc  Sc10  1  0.49989053  0.25009419  0.33353495  1.0
+  Sc  Sc11  1  0.49989053  0.74990492  0.33353495  1.0
+  Sc  Sc12  1  0.00000000  0.25021658  0.49999979  1.0
+  Sc  Sc13  1  0.00000000  0.74978252  0.49999979  1.0
+  Sc  Sc14  1  0.50011116  0.25009419  0.66646498  1.0
+  Sc  Sc15  1  0.50011116  0.74990492  0.66646498  1.0
+  Sc  Sc16  1  0.00000000  0.24993597  0.83330624  1.0
+  Sc  Sc17  1  0.00000000  0.75006463  0.83330624  1.0
+  Tc  Tc18  1  0.00000000  0.00000000  0.00000000  1.0
+  Tc  Tc19  1  0.49952789  0.50000030  0.16688594  1.0
+  Tc  Tc20  1  0.00000000  0.00000000  0.33344225  1.0
+  Tc  Tc21  1  0.49999979  0.50000030  0.50000032  1.0
+  Tc  Tc22  1  0.00000000  0.00000000  0.66655803  1.0
+  Tc  Tc23  1  0.50047169  0.50000030  0.83311399  1.0
+  Hg  Hg0  1  0.00000000  0.50000030  0.00000000  1.0
+  Hg  Hg1  1  0.49996708  0.00000000  0.16702174  1.0
+  Hg  Hg2  1  0.99985810  0.50000030  0.33300566  1.0
+  Hg  Hg3  1  0.49999979  0.00000000  0.50000032  1.0
+  Hg  Hg4  1  0.00014359  0.50000030  0.66699426  1.0
+  Hg  Hg5  1  0.50003250  0.00000000  0.83297819  1.0
+data_oqmd-2996697
+_entalpic_fingerprint
+71ff383c2ec220ff0ee0e7c72f3826c7_58_Sc12Ga6Cu6
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.68005600
+_cell_length_b   6.61473200
+_cell_length_c   14.04127000
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   89.99998368
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Sc2GaCu
+_chemical_formula_sum   'Sc12 Ga6 Cu6'
+_cell_volume   434.68003503
+_cell_formula_units_Z   6
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sc  Sc12  1  0.50000043  0.25003281  0.00000000  1.0
+  Sc  Sc13  1  0.50000043  0.74996689  0.00000000  1.0
+  Sc  Sc14  1  0.99959911  0.24996175  0.16666933  1.0
+  Sc  Sc15  1  0.99959911  0.75003946  0.16666933  1.0
+  Sc  Sc16  1  0.49959865  0.25004036  0.33333333  1.0
+  Sc  Sc17  1  0.49959865  0.74996084  0.33333333  1.0
+  Sc  Sc18  1  0.00000000  0.24996780  0.50000036  1.0
+  Sc  Sc19  1  0.00000000  0.75003190  0.50000036  1.0
+  Sc  Sc20  1  0.50040199  0.25004036  0.66666667  1.0
+  Sc  Sc21  1  0.50040199  0.74996084  0.66666667  1.0
+  Sc  Sc22  1  0.00040153  0.24996175  0.83333060  1.0
+  Sc  Sc23  1  0.00040153  0.75003946  0.83333060  1.0
+  Ga  Ga6  1  0.00000000  0.50000060  0.00000000  1.0
+  Ga  Ga7  1  0.49972903  0.00000000  0.16667435  1.0
+  Ga  Ga8  1  0.99972942  0.50000060  0.33333333  1.0
+  Ga  Ga9  1  0.50000032  0.00000000  0.50000032  1.0
+  Ga  Ga10  1  0.00027122  0.50000060  0.66666667  1.0
+  Ga  Ga11  1  0.50027161  0.00000000  0.83332558  1.0
+  Cu  Cu0  1  0.00000000  0.00000000  0.00000000  1.0
+  Cu  Cu1  1  0.49860725  0.50000060  0.16666722  1.0
+  Cu  Cu2  1  0.99860764  0.00000000  0.33333333  1.0
+  Cu  Cu3  1  0.50000032  0.50000060  0.50000032  1.0
+  Cu  Cu4  1  0.00139300  0.00000000  0.66666667  1.0
+  Cu  Cu5  1  0.50139340  0.50000060  0.83333270  1.0
+data_oqmd-5690359
+_entalpic_fingerprint   7d3400875ca1b60afc23858e8aef430c_57_Sr4O4
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   5.16251650
+_cell_length_b   5.15740667
+_cell_length_c   5.13828287
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   SrO
+_chemical_formula_sum   'Sr4 O4'
+_cell_volume   136.80779382
+_cell_formula_units_Z   4
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Sr  Sr4  1  0.75014579  0.00027145  0.24999986  1.0
+  Sr  Sr5  1  0.24985489  0.50027081  0.24999986  1.0
+  Sr  Sr6  1  0.75014579  0.49972790  0.74999958  1.0
+  Sr  Sr7  1  0.24985489  0.99972919  0.74999958  1.0
+  O  O0  1  0.24953528  0.00053515  0.24999986  1.0
+  O  O1  1  0.75046540  0.50053451  0.24999986  1.0
+  O  O2  1  0.24953528  0.49946420  0.74999958  1.0
+  O  O3  1  0.75046540  0.99946549  0.74999958  1.0
+data_agm004412345
+_entalpic_fingerprint   324889871131f9fa8d138941c8e49eb8_44_Li2Y1Rh1
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.70034869
+_cell_length_b   4.70034872
+_cell_length_c   4.70034870
+_cell_angle_alpha   120.08101045
+_cell_angle_beta   120.00379667
+_cell_angle_gamma   89.92656632
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   Li2YRh
+_chemical_formula_sum   'Li2 Y1 Rh1'
+_cell_volume   73.38312920
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Li  Li0  1  0.99954207  0.99954207  0.00000000  1.0
+  Li  Li1  1  0.74983498  0.24983498  0.50000000  1.0
+  Y  Y3  1  0.25019931  0.75019931  0.50000000  1.0
+  Rh  Rh2  1  0.50042363  0.50042363  0.00000000  1.0
+data_agm003791552
+_entalpic_fingerprint   c0875869355149b370b0d7236227aede_44_Ca1Be1W2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.55926342
+_cell_length_b   4.55925676
+_cell_length_c   4.55191644
+_cell_angle_alpha   119.91876519
+_cell_angle_beta   119.92100225
+_cell_angle_gamma   90.12853890
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   CaBeW2
+_chemical_formula_sum   'Ca1 Be1 W2'
+_cell_volume   66.99328590
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Ca  Ca1  1  0.24996408  0.75004360  0.49999802  1.0
+  Be  Be0  1  0.50043040  0.49943867  0.00000462  1.0
+  W  W2  1  0.99979174  0.00024601  0.00001026  1.0
+  W  W3  1  0.74966681  0.25027173  0.49998710  1.0
+data_oqmd-3091022
+_entalpic_fingerprint
+06b8aea9eba2ba9ac5f04752b6599886_58_Zr6Sn6Rh12
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.62082900
+_cell_length_b   6.53553200
+_cell_length_c   13.86230500
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ZrSnRh2
+_chemical_formula_sum   'Zr6 Sn6 Rh12'
+_cell_volume   418.63573056
+_cell_formula_units_Z   6
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Zr  Zr18  1  0.00000000  0.00000000  0.00000000  1.0
+  Zr  Zr19  1  0.49950994  0.50000061  0.16665555  1.0
+  Zr  Zr20  1  0.99950896  0.00000000  0.33333333  1.0
+  Zr  Zr21  1  0.50000119  0.50000061  0.49999982  1.0
+  Zr  Zr22  1  0.00048909  0.00000000  0.66666667  1.0
+  Zr  Zr23  1  0.50048812  0.50000061  0.83334482  1.0
+  Sn  Sn12  1  0.00000000  0.50000061  0.00000000  1.0
+  Sn  Sn13  1  0.50145115  0.00000000  0.16665050  1.0
+  Sn  Sn14  1  0.00144996  0.50000061  0.33333333  1.0
+  Sn  Sn15  1  0.50000119  0.00000000  0.49999982  1.0
+  Sn  Sn16  1  0.99854810  0.50000061  0.66666667  1.0
+  Sn  Sn17  1  0.49855123  0.00000000  0.83334914  1.0
+  Rh  Rh0  1  0.50000119  0.25008064  0.00000000  1.0
+  Rh  Rh1  1  0.50000119  0.74991753  0.00000000  1.0
+  Rh  Rh2  1  0.00048476  0.24975167  0.16667286  1.0
+  Rh  Rh3  1  0.00048476  0.75024803  0.16667286  1.0
+  Rh  Rh4  1  0.50048595  0.25024742  0.33333333  1.0
+  Rh  Rh5  1  0.50048595  0.74975228  0.33333333  1.0
+  Rh  Rh6  1  0.00000000  0.24991998  0.49999982  1.0
+  Rh  Rh7  1  0.00000000  0.75008125  0.49999982  1.0
+  Rh  Rh8  1  0.49951426  0.25024742  0.66666667  1.0
+  Rh  Rh9  1  0.49951426  0.74975228  0.66666667  1.0
+  Rh  Rh10  1  0.99951545  0.24975167  0.83332678  1.0
+  Rh  Rh11  1  0.99951545  0.75024803  0.83332678  1.0
+data_oqmd-4164148
+_entalpic_fingerprint   3eda171effe2ecf3ec6962eda89f41cb_51_Zr2Fe2
+_symmetry_space_group_name_H-M   'P 1'
+_cell_length_a   4.48249600
+_cell_length_b   3.15755300
+_cell_length_c   4.45828800
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   1
+_chemical_formula_structural   ZrFe
+_chemical_formula_sum   'Zr2 Fe2'
+_cell_volume   63.10135420
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+loop_
+ _atom_site_type_symbol
+ _atom_site_label
+ _atom_site_symmetry_multiplicity
+ _atom_site_fract_x
+ _atom_site_fract_y
+ _atom_site_fract_z
+ _atom_site_occupancy
+  Zr  Zr2  1  0.91650054  0.00000000  0.00000000  1.0
+  Zr  Zr3  1  0.41683250  0.00000000  0.50000135  1.0
+  Fe  Fe0  1  0.41585536  0.50000111  0.00000000  1.0
+  Fe  Fe1  1  0.91747544  0.50000111  0.50000135  1.0