# generated using pymatgen
data_OsW48S95
_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   OsW48S95
_chemical_formula_sum   'Os1 W48 S95'
_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  0.083333  0.791680  0.378075  1
  W  W2  1  -0.000052  0.750007  0.504459  1
  W  W3  1  0.083333  0.875068  0.504454  1
  W  W4  1  -0.000179  0.499945  0.500053  1
  W  W5  1  0.083333  0.624784  0.502053  1
  W  W6  1  0.166718  0.750007  0.504459  1
  W  W7  1  0.250282  0.875125  0.501989  1
  W  W8  1  0.000013  0.250066  0.499337  1
  W  W9  1  0.083333  0.375038  0.499501  1
  W  W10  1  0.166846  0.499945  0.500054  1
  W  W11  1  0.249893  0.625059  0.500576  1
  W  W12  1  0.333244  0.750039  0.500464  1
  W  W13  1  0.416864  0.874863  0.499780  1
  W  W14  1  -0.000024  -0.000088  0.500541  1
  W  W15  1  0.083333  0.125035  0.499615  1
  W  W16  1  0.166654  0.250066  0.499337  1
  W  W17  1  0.250055  0.375017  0.499478  1
  W  W18  1  0.333390  0.500036  0.499567  1
  W  W19  1  0.416672  0.624980  0.499513  1
  W  W20  1  0.499993  0.749885  0.499170  1
  W  W21  1  0.583333  0.874872  0.499200  1
  W  W22  1  0.166690  -0.000088  0.500541  1
  W  W23  1  0.249972  0.125044  0.499502  1
  W  W24  1  0.333326  0.250032  0.499482  1
  W  W25  1  0.416688  0.375037  0.499580  1
  W  W26  1  0.500030  0.500002  0.499358  1
  W  W27  1  0.583333  0.624927  0.499097  1
  W  W28  1  0.666674  0.749886  0.499170  1
  W  W29  1  0.749803  0.874863  0.499780  1
  W  W30  1  0.333365  0.000150  0.499944  1
  W  W31  1  0.416667  0.125043  0.499549  1
  W  W32  1  0.500020  0.250023  0.499713  1
  W  W33  1  0.583333  0.375012  0.499642  1
  W  W34  1  0.666637  0.500002  0.499358  1
  W  W35  1  0.749995  0.624980  0.499513  1
  W  W36  1  0.833423  0.750040  0.500464  1
  W  W37  1  0.916385  0.875125  0.501989  1
  W  W38  1  0.500023  -0.000058  0.499482  1
  W  W39  1  0.583333  0.124972  0.499633  1
  W  W40  1  0.666646  0.250023  0.499713  1
  W  W41  1  0.749978  0.375037  0.499580  1
  W  W42  1  0.833277  0.500036  0.499567  1
  W  W43  1  0.916774  0.625059  0.500577  1
  W  W44  1  0.666644  -0.000058  0.499483  1
  W  W45  1  0.749999  0.125043  0.499549  1
  W  W46  1  0.833341  0.250032  0.499482  1
  W  W47  1  0.916612  0.375017  0.499478  1
  W  W48  1  0.833301  0.000150  0.499944  1
  W  W49  1  0.916695  0.125044  0.499501  1
  S  S50  1  0.166453  0.915234  0.391059  1
  S  S51  1  0.083333  0.541901  0.390101  1
  S  S52  1  0.165338  0.667570  0.391094  1
  S  S53  1  0.248450  0.792238  0.391032  1
  S  S54  1  0.333104  0.916558  0.389915  1
  S  S55  1  0.083333  0.291774  0.388566  1
  S  S56  1  0.166704  0.416822  0.388872  1
  S  S57  1  0.249860  0.541991  0.389248  1
  S  S58  1  0.333000  0.666788  0.389374  1
  S  S59  1  0.416205  0.791571  0.388941  1
  S  S60  1  0.499905  0.916596  0.388638  1
  S  S61  1  0.083333  0.041389  0.389443  1
  S  S62  1  0.166633  0.166628  0.388693  1
  S  S63  1  0.250045  0.291711  0.388631  1
  S  S64  1  0.333380  0.416725  0.388766  1
  S  S65  1  0.416607  0.541681  0.388677  1
  S  S66  1  0.499868  0.666573  0.388414  1
  S  S67  1  0.583333  0.791561  0.388335  1
  S  S68  1  0.666762  0.916596  0.388637  1
  S  S69  1  0.249772  0.041407  0.389180  1
  S  S70  1  0.333329  0.166668  0.388729  1
  S  S71  1  0.416743  0.291685  0.388870  1
  S  S72  1  0.500023  0.416596  0.388765  1
  S  S73  1  0.583333  0.541560  0.388421  1
  S  S74  1  0.666799  0.666573  0.388414  1
  S  S75  1  0.750462  0.791571  0.388941  1
  S  S76  1  0.833563  0.916558  0.389915  1
  S  S77  1  0.416593  0.041652  0.388864  1
  S  S78  1  0.500040  0.166708  0.388901  1
  S  S79  1  0.583333  0.291661  0.388955  1
  S  S80  1  0.666644  0.416596  0.388765  1
  S  S81  1  0.750059  0.541681  0.388677  1
  S  S82  1  0.833667  0.666788  0.389374  1
  S  S83  1  0.918217  0.792238  0.391033  1
  S  S84  1  0.000213  0.915234  0.391060  1
  S  S85  1  0.583333  0.041662  0.388764  1
  S  S86  1  0.666627  0.166708  0.388901  1
  S  S87  1  0.749924  0.291685  0.388869  1
  S  S88  1  0.833286  0.416726  0.388766  1
  S  S89  1  0.916807  0.541991  0.389249  1
  S  S90  1  0.001328  0.667570  0.391094  1
  S  S91  1  0.750074  0.041652  0.388864  1
  S  S92  1  0.833338  0.166668  0.388728  1
  S  S93  1  0.916621  0.291710  0.388632  1
  S  S94  1  -0.000037  0.416822  0.388871  1
  S  S95  1  0.916894  0.041407  0.389180  1
  S  S96  1  0.000034  0.166628  0.388693  1
  S  S97  1  0.083334  0.791680  0.615845  1
  S  S98  1  0.167634  0.917409  0.613340  1
  S  S99  1  0.083333  0.540713  0.611321  1
  S  S100  1  0.166942  0.665637  0.613380  1
  S  S101  1  0.251259  0.792001  0.613332  1
  S  S102  1  0.334418  0.917104  0.611164  1
  S  S103  1  0.083333  0.291668  0.610143  1
  S  S104  1  0.166763  0.416426  0.610432  1
  S  S105  1  0.250341  0.541462  0.610788  1
  S  S106  1  0.333642  0.666546  0.610814  1
  S  S107  1  0.417144  0.791492  0.610506  1
  S  S108  1  0.500317  0.916582  0.610247  1
  S  S109  1  0.083333  0.041937  0.610842  1
  S  S110  1  0.166677  0.166821  0.610225  1
  S  S111  1  0.249966  0.291663  0.610181  1
  S  S112  1  0.333366  0.416660  0.610316  1
  S  S113  1  0.416817  0.541646  0.610259  1
  S  S114  1  0.500177  0.666605  0.610004  1
  S  S115  1  0.583333  0.791511  0.609888  1
  S  S116  1  0.666350  0.916582  0.610247  1
  S  S117  1  0.250111  0.042017  0.610690  1
  S  S118  1  0.333320  0.166735  0.610264  1
  S  S119  1  0.416615  0.291692  0.610363  1
  S  S120  1  0.500011  0.416753  0.610313  1
  S  S121  1  0.583333  0.541712  0.610047  1
  S  S122  1  0.666490  0.666605  0.610004  1
  S  S123  1  0.749523  0.791492  0.610506  1
  S  S124  1  0.832249  0.917104  0.611164  1
  S  S125  1  0.416892  0.041800  0.610405  1
  S  S126  1  0.499996  0.166651  0.610403  1
  S  S127  1  0.583333  0.291710  0.610509  1
  S  S128  1  0.666655  0.416753  0.610313  1
  S  S129  1  0.749849  0.541646  0.610259  1
  S  S130  1  0.833025  0.666546  0.610814  1
  S  S131  1  0.915408  0.792001  0.613332  1
  S  S132  1  -0.000967  0.917409  0.613340  1
  S  S133  1  0.583333  0.041581  0.610303  1
  S  S134  1  0.666670  0.166651  0.610402  1
  S  S135  1  0.750051  0.291692  0.610363  1
  S  S136  1  0.833301  0.416660  0.610316  1
  S  S137  1  0.916326  0.541461  0.610787  1
  S  S138  1  -0.000275  0.665637  0.613381  1
  S  S139  1  0.749775  0.041801  0.610405  1
  S  S140  1  0.833347  0.166734  0.610263  1
  S  S141  1  0.916701  0.291663  0.610181  1
  S  S142  1  -0.000096  0.416426  0.610431  1
  S  S143  1  0.916555  0.042018  0.610690  1
  S  S144  1  -0.000011  0.166820  0.610225  1
