# generated using pymatgen
data_SbW48S95
_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   SbW48S95
_chemical_formula_sum   'Sb1 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
  Sb  Sb1  1  0.083333  0.791860  0.347871  1
  W  W2  1  0.001699  0.750317  0.501965  1
  W  W3  1  0.083333  0.873962  0.501550  1
  W  W4  1  -0.000131  0.499996  0.500346  1
  W  W5  1  0.083333  0.625840  0.501285  1
  W  W6  1  0.164967  0.750317  0.501965  1
  W  W7  1  0.249197  0.874783  0.501091  1
  W  W8  1  -0.000013  0.250182  0.499983  1
  W  W9  1  0.083333  0.375429  0.500046  1
  W  W10  1  0.166798  0.499996  0.500346  1
  W  W11  1  0.250282  0.624842  0.500422  1
  W  W12  1  0.333612  0.749806  0.500291  1
  W  W13  1  0.416818  0.874861  0.500222  1
  W  W14  1  0.000028  0.000394  0.500450  1
  W  W15  1  0.083333  0.125506  0.500254  1
  W  W16  1  0.166679  0.250182  0.499983  1
  W  W17  1  0.249842  0.375208  0.500040  1
  W  W18  1  0.333462  0.500048  0.500088  1
  W  W19  1  0.417045  0.624745  0.500230  1
  W  W20  1  0.499991  0.749836  0.500057  1
  W  W21  1  0.583333  0.874945  0.500099  1
  W  W22  1  0.166639  0.000394  0.500450  1
  W  W23  1  0.249895  0.125149  0.500107  1
  W  W24  1  0.333309  0.250153  0.499918  1
  W  W25  1  0.416742  0.374931  0.499950  1
  W  W26  1  0.499911  0.499906  0.500023  1
  W  W27  1  0.583333  0.624920  0.500048  1
  W  W28  1  0.666675  0.749836  0.500057  1
  W  W29  1  0.749849  0.874861  0.500222  1
  W  W30  1  0.333340  0.000094  0.500327  1
  W  W31  1  0.416645  0.124829  0.500032  1
  W  W32  1  0.499838  0.249911  0.499910  1
  W  W33  1  0.583333  0.374942  0.499971  1
  W  W34  1  0.666755  0.499906  0.500023  1
  W  W35  1  0.749622  0.624745  0.500230  1
  W  W36  1  0.833055  0.749806  0.500291  1
  W  W37  1  0.917469  0.874783  0.501091  1
  W  W38  1  0.499795  -0.000209  0.499998  1
  W  W39  1  0.583333  0.124898  0.499911  1
  W  W40  1  0.666828  0.249911  0.499910  1
  W  W41  1  0.749924  0.374931  0.499950  1
  W  W42  1  0.833205  0.500048  0.500088  1
  W  W43  1  0.916384  0.624842  0.500422  1
  W  W44  1  0.666871  -0.000209  0.499998  1
  W  W45  1  0.750021  0.124829  0.500032  1
  W  W46  1  0.833358  0.250153  0.499918  1
  W  W47  1  0.916824  0.375208  0.500040  1
  W  W48  1  0.833326  0.000094  0.500327  1
  W  W49  1  0.916772  0.125149  0.500107  1
  S  S50  1  0.166572  0.916655  0.390452  1
  S  S51  1  0.083333  0.542423  0.390201  1
  S  S52  1  0.166467  0.666704  0.390518  1
  S  S53  1  0.249431  0.791677  0.390736  1
  S  S54  1  0.332728  0.916322  0.390082  1
  S  S55  1  0.083333  0.292039  0.389310  1
  S  S56  1  0.166577  0.416938  0.389163  1
  S  S57  1  0.249996  0.541550  0.389426  1
  S  S58  1  0.333573  0.666500  0.389561  1
  S  S59  1  0.416788  0.791676  0.389301  1
  S  S60  1  0.499939  0.916552  0.389177  1
  S  S61  1  0.083333  0.042029  0.389640  1
  S  S62  1  0.166617  0.166849  0.389218  1
  S  S63  1  0.249977  0.291848  0.389171  1
  S  S64  1  0.333335  0.416751  0.389288  1
  S  S65  1  0.416736  0.541619  0.389140  1
  S  S66  1  0.500042  0.666543  0.389177  1
  S  S67  1  0.583333  0.791519  0.389273  1
  S  S68  1  0.666728  0.916552  0.389177  1
  S  S69  1  0.250130  0.041759  0.389485  1
  S  S70  1  0.333265  0.166656  0.389315  1
  S  S71  1  0.416609  0.291679  0.389060  1
  S  S72  1  0.500014  0.416600  0.389150  1
  S  S73  1  0.583333  0.541555  0.389294  1
  S  S74  1  0.666624  0.666543  0.389177  1
  S  S75  1  0.749878  0.791676  0.389301  1
  S  S76  1  0.833939  0.916322  0.390082  1
  S  S77  1  0.416550  0.041496  0.389205  1
  S  S78  1  0.499944  0.166540  0.389181  1
  S  S79  1  0.583333  0.291535  0.389280  1
  S  S80  1  0.666653  0.416600  0.389150  1
  S  S81  1  0.749930  0.541619  0.389140  1
  S  S82  1  0.833093  0.666500  0.389561  1
  S  S83  1  0.917235  0.791677  0.390736  1
  S  S84  1  0.000095  0.916655  0.390452  1
  S  S85  1  0.583333  0.041367  0.389321  1
  S  S86  1  0.666722  0.166540  0.389181  1
  S  S87  1  0.750058  0.291679  0.389060  1
  S  S88  1  0.833332  0.416751  0.389288  1
  S  S89  1  0.916671  0.541550  0.389426  1
  S  S90  1  0.000200  0.666704  0.390518  1
  S  S91  1  0.750117  0.041496  0.389205  1
  S  S92  1  0.833401  0.166656  0.389315  1
  S  S93  1  0.916690  0.291848  0.389171  1
  S  S94  1  0.000090  0.416938  0.389163  1
  S  S95  1  0.916537  0.041759  0.389485  1
  S  S96  1  0.000050  0.166849  0.389218  1
  S  S97  1  0.083333  0.791815  0.612744  1
  S  S98  1  0.166224  0.917140  0.611871  1
  S  S99  1  0.083333  0.541852  0.611080  1
  S  S100  1  0.167440  0.666758  0.612098  1
  S  S101  1  0.250042  0.791052  0.611687  1
  S  S102  1  0.333226  0.916522  0.610945  1
  S  S103  1  0.083333  0.291955  0.610665  1
  S  S104  1  0.166691  0.416789  0.611143  1
  S  S105  1  0.250157  0.541424  0.611212  1
  S  S106  1  0.333754  0.666474  0.610974  1
  S  S107  1  0.416924  0.791645  0.611128  1
  S  S108  1  0.500043  0.916574  0.611027  1
  S  S109  1  0.083333  0.042168  0.611063  1
  S  S110  1  0.166679  0.166968  0.611043  1
  S  S111  1  0.250001  0.291821  0.610748  1
  S  S112  1  0.333378  0.416674  0.610723  1
  S  S113  1  0.416807  0.541550  0.611109  1
  S  S114  1  0.500106  0.666546  0.611063  1
  S  S115  1  0.583333  0.791522  0.610818  1
  S  S116  1  0.666623  0.916574  0.611027  1
  S  S117  1  0.250197  0.041924  0.611174  1
  S  S118  1  0.333329  0.166752  0.610689  1
  S  S119  1  0.416621  0.291661  0.610779  1
  S  S120  1  0.500021  0.416557  0.610787  1
  S  S121  1  0.583333  0.541523  0.610774  1
  S  S122  1  0.666561  0.666546  0.611063  1
  S  S123  1  0.749742  0.791645  0.611128  1
  S  S124  1  0.833440  0.916522  0.610945  1
  S  S125  1  0.416667  0.041624  0.611045  1
  S  S126  1  0.500035  0.166568  0.610684  1
  S  S127  1  0.583333  0.291515  0.610584  1
  S  S128  1  0.666645  0.416557  0.610787  1
  S  S129  1  0.749859  0.541551  0.611109  1
  S  S130  1  0.832913  0.666474  0.610974  1
  S  S131  1  0.916624  0.791052  0.611687  1
  S  S132  1  0.000443  0.917140  0.611871  1
  S  S133  1  0.583333  0.041475  0.610550  1
  S  S134  1  0.666631  0.166568  0.610684  1
  S  S135  1  0.750046  0.291661  0.610779  1
  S  S136  1  0.833288  0.416674  0.610723  1
  S  S137  1  0.916510  0.541424  0.611212  1
  S  S138  1  -0.000774  0.666758  0.612098  1
  S  S139  1  0.750000  0.041624  0.611045  1
  S  S140  1  0.833337  0.166752  0.610689  1
  S  S141  1  0.916665  0.291821  0.610748  1
  S  S142  1  -0.000025  0.416789  0.611143  1
  S  S143  1  0.916469  0.041924  0.611174  1
  S  S144  1  -0.000012  0.166968  0.611043  1
