# 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  0.000008  0.736879  0.499999  1
  W  W2  1  0.082814  0.880098  0.500000  1
  W  W3  1  -0.000000  0.498100  0.499998  1
  W  W4  1  0.082974  0.623243  0.500000  1
  W  W5  1  0.167087  0.749970  0.500000  1
  W  W6  1  0.249061  0.875410  0.500001  1
  W  W7  1  0.000000  0.249857  0.499998  1
  W  W8  1  0.083464  0.374228  0.500001  1
  W  W9  1  0.166855  0.499430  0.500002  1
  W  W10  1  0.249126  0.625015  0.500002  1
  W  W11  1  0.332441  0.751101  0.500003  1
  W  W12  1  0.416655  0.875296  0.500004  1
  W  W13  1  -0.000000  0.001744  0.499997  1
  W  W14  1  0.083621  0.125589  0.499999  1
  W  W15  1  0.166931  0.249813  0.500003  1
  W  W16  1  0.250440  0.374768  0.500004  1
  W  W17  1  0.333398  0.500027  0.500004  1
  W  W18  1  0.416466  0.625448  0.500004  1
  W  W19  1  0.500000  0.750513  0.500004  1
  W  W20  1  0.583345  0.875296  0.500003  1
  W  W21  1  0.167065  0.000089  0.500000  1
  W  W22  1  0.250266  0.125201  0.500004  1
  W  W23  1  0.333521  0.250154  0.500007  1
  W  W24  1  0.416670  0.375252  0.500006  1
  W  W25  1  0.500000  0.500525  0.500004  1
  W  W26  1  0.583534  0.625448  0.500003  1
  W  W27  1  0.667559  0.751101  0.500002  1
  W  W28  1  0.750939  0.875410  0.499998  1
  W  W29  1  0.333418  0.000319  0.500004  1
  W  W30  1  0.416761  0.125181  0.500005  1
  W  W31  1  0.500000  0.250233  0.500006  1
  W  W32  1  0.583329  0.375252  0.500003  1
  W  W33  1  0.666602  0.500027  0.500001  1
  W  W34  1  0.750874  0.625015  0.500001  1
  W  W35  1  0.832908  0.749969  0.499999  1
  W  W36  1  0.917186  0.880098  0.499998  1
  W  W37  1  0.500000  0.000304  0.500001  1
  W  W38  1  0.583239  0.125181  0.500001  1
  W  W39  1  0.666479  0.250154  0.500001  1
  W  W40  1  0.749559  0.374768  0.499998  1
  W  W41  1  0.833145  0.499431  0.499997  1
  W  W42  1  0.917025  0.623243  0.499999  1
  W  W43  1  0.666581  0.000319  0.499999  1
  W  W44  1  0.749734  0.125202  0.499996  1
  W  W45  1  0.833069  0.249813  0.499996  1
  W  W46  1  0.916536  0.374228  0.499997  1
  W  W47  1  0.832936  0.000089  0.499995  1
  W  W48  1  0.916379  0.125589  0.499995  1
  S  S49  1  0.077516  0.791122  0.395851  1
  S  S50  1  0.166868  0.917335  0.387703  1
  S  S51  1  0.083363  0.540063  0.389554  1
  S  S52  1  0.165901  0.666835  0.389593  1
  S  S53  1  0.248809  0.792266  0.388890  1
  S  S54  1  0.333056  0.916864  0.389738  1
  S  S55  1  0.083503  0.291209  0.389283  1
  S  S56  1  0.166886  0.416113  0.389499  1
  S  S57  1  0.249959  0.541676  0.389391  1
  S  S58  1  0.332765  0.667244  0.389940  1
  S  S59  1  0.416331  0.792048  0.389443  1
  S  S60  1  0.500000  0.916923  0.389388  1
  S  S61  1  0.083832  0.042668  0.389265  1
  S  S62  1  0.167017  0.166772  0.389269  1
  S  S63  1  0.250194  0.291573  0.389345  1
  S  S64  1  0.333443  0.416799  0.389343  1
  S  S65  1  0.416539  0.542138  0.389491  1
  S  S66  1  0.500000  0.667151  0.389598  1
  S  S67  1  0.583669  0.792048  0.389445  1
  S  S68  1  0.666943  0.916864  0.389740  1
  S  S69  1  0.250169  0.041902  0.389347  1
  S  S70  1  0.333560  0.166847  0.389348  1
  S  S71  1  0.416742  0.291919  0.389380  1
  S  S72  1  0.500000  0.417048  0.389495  1
  S  S73  1  0.583461  0.542137  0.389492  1
  S  S74  1  0.667235  0.667244  0.389942  1
  S  S75  1  0.751189  0.792266  0.388890  1
  S  S76  1  0.833131  0.917335  0.387705  1
  S  S77  1  0.416708  0.041891  0.389335  1
  S  S78  1  0.500000  0.166893  0.389393  1
  S  S79  1  0.583259  0.291918  0.389382  1
  S  S80  1  0.666557  0.416798  0.389345  1
  S  S81  1  0.750041  0.541676  0.389393  1
  S  S82  1  0.834099  0.666835  0.389595  1
  S  S83  1  0.922486  0.791119  0.395856  1
  S  S84  1  -0.000001  0.919542  0.388793  1
  S  S85  1  0.583293  0.041891  0.389336  1
  S  S86  1  0.666440  0.166848  0.389351  1
  S  S87  1  0.749806  0.291573  0.389349  1
  S  S88  1  0.833113  0.416113  0.389501  1
  S  S89  1  0.916637  0.540063  0.389555  1
  S  S90  1  -0.000000  0.660147  0.384457  1
  S  S91  1  0.749831  0.041903  0.389352  1
  S  S92  1  0.832983  0.166772  0.389274  1
  S  S93  1  0.916497  0.291209  0.389285  1
  S  S94  1  0.000000  0.415273  0.389098  1
  S  S95  1  0.916167  0.042669  0.389267  1
  S  S96  1  0.000001  0.166768  0.389317  1
  S  S97  1  0.077515  0.791121  0.604148  1
  S  S98  1  0.166869  0.917334  0.612297  1
  S  S99  1  0.083364  0.540063  0.610450  1
  S  S100  1  0.165902  0.666835  0.610406  1
  S  S101  1  0.248810  0.792266  0.611105  1
  S  S102  1  0.333056  0.916864  0.610256  1
  S  S103  1  0.083503  0.291208  0.610721  1
  S  S104  1  0.166888  0.416113  0.610501  1
  S  S105  1  0.249960  0.541676  0.610607  1
  S  S106  1  0.332766  0.667244  0.610053  1
  S  S107  1  0.416332  0.792048  0.610548  1
  S  S108  1  0.499999  0.916922  0.610607  1
  S  S109  1  0.083834  0.042668  0.610739  1
  S  S110  1  0.167020  0.166772  0.610732  1
  S  S111  1  0.250195  0.291573  0.610651  1
  S  S112  1  0.333444  0.416799  0.610651  1
  S  S113  1  0.416540  0.542138  0.610501  1
  S  S114  1  0.500000  0.667151  0.610391  1
  S  S115  1  0.583668  0.792047  0.610549  1
  S  S116  1  0.666943  0.916864  0.610258  1
  S  S117  1  0.250171  0.041902  0.610652  1
  S  S118  1  0.333561  0.166848  0.610646  1
  S  S119  1  0.416742  0.291918  0.610611  1
  S  S120  1  0.500000  0.417048  0.610498  1
  S  S121  1  0.583461  0.542138  0.610501  1
  S  S122  1  0.667233  0.667244  0.610055  1
  S  S123  1  0.751188  0.792266  0.611107  1
  S  S124  1  0.833131  0.917334  0.612299  1
  S  S125  1  0.416707  0.041892  0.610659  1
  S  S126  1  0.499999  0.166894  0.610602  1
  S  S127  1  0.583257  0.291918  0.610614  1
  S  S128  1  0.666555  0.416798  0.610654  1
  S  S129  1  0.750040  0.541676  0.610609  1
  S  S130  1  0.834098  0.666836  0.610407  1
  S  S131  1  0.922486  0.791118  0.604143  1
  S  S132  1  -0.000000  0.919541  0.611212  1
  S  S133  1  0.583292  0.041892  0.610661  1
  S  S134  1  0.666439  0.166847  0.610649  1
  S  S135  1  0.749804  0.291573  0.610655  1
  S  S136  1  0.833112  0.416114  0.610503  1
  S  S137  1  0.916636  0.540063  0.610451  1
  S  S138  1  -0.000000  0.660148  0.615546  1
  S  S139  1  0.749830  0.041903  0.610653  1
  S  S140  1  0.832982  0.166773  0.610737  1
  S  S141  1  0.916498  0.291209  0.610723  1
  S  S142  1  0.000000  0.415272  0.610910  1
  S  S143  1  0.916166  0.042668  0.610741  1
  S  S144  1  0.000001  0.166768  0.610691  1
