# generated using pymatgen
data_OsW47S96
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.14455100
_cell_length_b   22.10622300
_cell_length_c   14.20054100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsW47S96
_chemical_formula_sum   'Os1 W47 S96'
_cell_volume   6009.86369232
_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
  Os  Os1  1  -0.000001  0.736500  0.500002  1
  W  W2  1  0.083944  0.879736  0.500007  1
  W  W3  1  -0.000000  0.497946  0.500007  1
  W  W4  1  0.082919  0.624061  0.500005  1
  W  W5  1  0.167284  0.749496  0.500004  1
  W  W6  1  0.248904  0.875791  0.500008  1
  W  W7  1  -0.000000  0.249572  0.500001  1
  W  W8  1  0.083541  0.374286  0.500002  1
  W  W9  1  0.166876  0.499231  0.500002  1
  W  W10  1  0.249122  0.625317  0.500003  1
  W  W11  1  0.332196  0.751019  0.500008  1
  W  W12  1  0.416710  0.875494  0.500010  1
  W  W13  1  -0.000000  0.001405  0.500006  1
  W  W14  1  0.083498  0.125607  0.500005  1
  W  W15  1  0.166836  0.249608  0.500003  1
  W  W16  1  0.250367  0.375045  0.499998  1
  W  W17  1  0.333402  0.499862  0.499998  1
  W  W18  1  0.416131  0.625605  0.500005  1
  W  W19  1  0.500001  0.750551  0.500013  1
  W  W20  1  0.583290  0.875495  0.500010  1
  W  W21  1  0.167211  -0.000284  0.500008  1
  W  W22  1  0.250394  0.125320  0.500005  1
  W  W23  1  0.333407  0.249945  0.499996  1
  W  W24  1  0.416604  0.375578  0.499994  1
  W  W25  1  0.500000  0.500499  0.499998  1
  W  W26  1  0.583870  0.625606  0.500009  1
  W  W27  1  0.667806  0.751019  0.500014  1
  W  W28  1  0.751097  0.875792  0.500008  1
  W  W29  1  0.333539  0.000212  0.500006  1
  W  W30  1  0.416580  0.125256  0.499998  1
  W  W31  1  0.500000  0.250197  0.499989  1
  W  W32  1  0.583396  0.375578  0.499993  1
  W  W33  1  0.666598  0.499862  0.500003  1
  W  W34  1  0.750878  0.625317  0.500012  1
  W  W35  1  0.832717  0.749496  0.500009  1
  W  W36  1  0.916056  0.879736  0.500007  1
  W  W37  1  0.500000  0.000136  0.500002  1
  W  W38  1  0.583420  0.125257  0.499990  1
  W  W39  1  0.666593  0.249945  0.499988  1
  W  W40  1  0.749633  0.375046  0.499995  1
  W  W41  1  0.833124  0.499231  0.500007  1
  W  W42  1  0.917081  0.624061  0.500009  1
  W  W43  1  0.666461  0.000212  0.499999  1
  W  W44  1  0.749606  0.125320  0.499993  1
  W  W45  1  0.833164  0.249608  0.499996  1
  W  W46  1  0.916459  0.374286  0.500001  1
  W  W47  1  0.832788  -0.000285  0.500001  1
  W  W48  1  0.916502  0.125607  0.499999  1
  S  S49  1  0.077718  0.791097  0.395903  1
  S  S50  1  0.167096  0.917314  0.387444  1
  S  S51  1  0.083331  0.540387  0.390017  1
  S  S52  1  0.166026  0.666808  0.389432  1
  S  S53  1  0.248759  0.792411  0.389118  1
  S  S54  1  0.333125  0.916825  0.389819  1
  S  S55  1  0.083438  0.291152  0.389507  1
  S  S56  1  0.166806  0.416109  0.389532  1
  S  S57  1  0.249947  0.541808  0.389701  1
  S  S58  1  0.332678  0.667331  0.389974  1
  S  S59  1  0.416244  0.792071  0.389758  1
  S  S60  1  0.500000  0.916927  0.389487  1
  S  S61  1  0.083808  0.042432  0.389561  1
  S  S62  1  0.167001  0.166597  0.389436  1
  S  S63  1  0.250094  0.291662  0.389701  1
  S  S64  1  0.333373  0.416815  0.389405  1
  S  S65  1  0.416524  0.542221  0.389762  1
  S  S66  1  0.500000  0.667152  0.389970  1
  S  S67  1  0.583757  0.792071  0.389756  1
  S  S68  1  0.666875  0.916825  0.389819  1
  S  S69  1  0.250236  0.041933  0.389663  1
  S  S70  1  0.333556  0.166843  0.389382  1
  S  S71  1  0.416697  0.292019  0.389767  1
  S  S72  1  0.500000  0.417151  0.389659  1
  S  S73  1  0.583476  0.542219  0.389760  1
  S  S74  1  0.667323  0.667332  0.389970  1
  S  S75  1  0.751242  0.792412  0.389117  1
  S  S76  1  0.832904  0.917315  0.387444  1
  S  S77  1  0.416771  0.041911  0.389542  1
  S  S78  1  0.500000  0.166886  0.389660  1
  S  S79  1  0.583302  0.292018  0.389766  1
  S  S80  1  0.666627  0.416815  0.389404  1
  S  S81  1  0.750053  0.541807  0.389697  1
  S  S82  1  0.833975  0.666809  0.389429  1
  S  S83  1  0.922282  0.791097  0.395902  1
  S  S84  1  -0.000000  0.918840  0.389657  1
  S  S85  1  0.583229  0.041911  0.389543  1
  S  S86  1  0.666445  0.166843  0.389385  1
  S  S87  1  0.749907  0.291663  0.389702  1
  S  S88  1  0.833194  0.416108  0.389531  1
  S  S89  1  0.916670  0.540387  0.390016  1
  S  S90  1  0.000000  0.660169  0.383736  1
  S  S91  1  0.749763  0.041933  0.389664  1
  S  S92  1  0.832999  0.166597  0.389439  1
  S  S93  1  0.916561  0.291152  0.389509  1
  S  S94  1  -0.000000  0.415213  0.389227  1
  S  S95  1  0.916191  0.042432  0.389563  1
  S  S96  1  -0.000001  0.166596  0.389375  1
  S  S97  1  0.077718  0.791097  0.604100  1
  S  S98  1  0.167097  0.917315  0.612553  1
  S  S99  1  0.083330  0.540386  0.609979  1
  S  S100  1  0.166027  0.666807  0.610567  1
  S  S101  1  0.248759  0.792412  0.610878  1
  S  S102  1  0.333125  0.916826  0.610174  1
  S  S103  1  0.083437  0.291153  0.610488  1
  S  S104  1  0.166805  0.416108  0.610465  1
  S  S105  1  0.249947  0.541807  0.610298  1
  S  S106  1  0.332678  0.667331  0.610025  1
  S  S107  1  0.416244  0.792072  0.610235  1
  S  S108  1  0.500000  0.916927  0.610505  1
  S  S109  1  0.083808  0.042432  0.610439  1
  S  S110  1  0.167003  0.166598  0.610563  1
  S  S111  1  0.250094  0.291662  0.610297  1
  S  S112  1  0.333372  0.416815  0.610595  1
  S  S113  1  0.416524  0.542220  0.610237  1
  S  S114  1  0.500001  0.667152  0.610024  1
  S  S115  1  0.583757  0.792072  0.610234  1
  S  S116  1  0.666875  0.916826  0.610174  1
  S  S117  1  0.250239  0.041933  0.610335  1
  S  S118  1  0.333556  0.166843  0.610613  1
  S  S119  1  0.416698  0.292017  0.610232  1
  S  S120  1  0.500000  0.417149  0.610342  1
  S  S121  1  0.583477  0.542220  0.610235  1
  S  S122  1  0.667322  0.667330  0.610021  1
  S  S123  1  0.751240  0.792413  0.610876  1
  S  S124  1  0.832903  0.917315  0.612555  1
  S  S125  1  0.416771  0.041911  0.610453  1
  S  S126  1  0.499999  0.166885  0.610339  1
  S  S127  1  0.583302  0.292018  0.610232  1
  S  S128  1  0.666628  0.416816  0.610594  1
  S  S129  1  0.750053  0.541808  0.610294  1
  S  S130  1  0.833973  0.666807  0.610567  1
  S  S131  1  0.922281  0.791097  0.604100  1
  S  S132  1  0.000000  0.918840  0.610343  1
  S  S133  1  0.583228  0.041912  0.610454  1
  S  S134  1  0.666442  0.166844  0.610615  1
  S  S135  1  0.749905  0.291663  0.610299  1
  S  S136  1  0.833195  0.416108  0.610465  1
  S  S137  1  0.916669  0.540386  0.609977  1
  S  S138  1  -0.000000  0.660168  0.616262  1
  S  S139  1  0.749762  0.041933  0.610335  1
  S  S140  1  0.832997  0.166598  0.610565  1
  S  S141  1  0.916563  0.291153  0.610490  1
  S  S142  1  0.000000  0.415213  0.610767  1
  S  S143  1  0.916192  0.042432  0.610441  1
  S  S144  1  -0.000001  0.166598  0.610626  1
