# generated using pymatgen
data_BiW48S95
_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   BiW48S95
_chemical_formula_sum   'Bi1 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
  Bi  Bi1  1  0.083333  0.791607  0.343495  1
  W  W2  1  -0.001390  0.749281  0.496840  1
  W  W3  1  0.083333  0.876376  0.496742  1
  W  W4  1  -0.000001  0.499498  0.500363  1
  W  W5  1  0.083333  0.624230  0.498441  1
  W  W6  1  0.168057  0.749281  0.496840  1
  W  W7  1  0.250675  0.875366  0.498659  1
  W  W8  1  -0.000026  0.249837  0.500910  1
  W  W9  1  0.083333  0.374615  0.500860  1
  W  W10  1  0.166668  0.499498  0.500363  1
  W  W11  1  0.250224  0.624463  0.500241  1
  W  W12  1  0.333920  0.750117  0.500549  1
  W  W13  1  0.416997  0.875299  0.500742  1
  W  W14  1  -0.000389  0.000381  0.500130  1
  W  W15  1  0.083334  0.124997  0.500767  1
  W  W16  1  0.166693  0.249837  0.500909  1
  W  W17  1  0.250039  0.374739  0.500764  1
  W  W18  1  0.333390  0.499740  0.500713  1
  W  W19  1  0.416776  0.625004  0.501000  1
  W  W20  1  0.500158  0.750221  0.501298  1
  W  W21  1  0.583333  0.875265  0.501206  1
  W  W22  1  0.167055  0.000381  0.500130  1
  W  W23  1  0.250227  0.125083  0.500680  1
  W  W24  1  0.333423  0.249961  0.500673  1
  W  W25  1  0.416710  0.374936  0.500667  1
  W  W26  1  0.500031  0.500018  0.500833  1
  W  W27  1  0.583333  0.625087  0.501198  1
  W  W28  1  0.666509  0.750221  0.501297  1
  W  W29  1  0.749670  0.875299  0.500742  1
  W  W30  1  0.333722  0.000233  0.500400  1
  W  W31  1  0.416819  0.125135  0.500616  1
  W  W32  1  0.500041  0.250080  0.500620  1
  W  W33  1  0.583333  0.375047  0.500677  1
  W  W34  1  0.666636  0.500018  0.500833  1
  W  W35  1  0.749890  0.625004  0.501000  1
  W  W36  1  0.832746  0.750117  0.500549  1
  W  W37  1  0.915991  0.875366  0.498659  1
  W  W38  1  0.500171  0.000261  0.500760  1
  W  W39  1  0.583333  0.125181  0.500578  1
  W  W40  1  0.666626  0.250080  0.500620  1
  W  W41  1  0.749957  0.374936  0.500667  1
  W  W42  1  0.833276  0.499740  0.500713  1
  W  W43  1  0.916442  0.624464  0.500241  1
  W  W44  1  0.666496  0.000261  0.500760  1
  W  W45  1  0.749848  0.125135  0.500616  1
  W  W46  1  0.833243  0.249961  0.500673  1
  W  W47  1  0.916627  0.374739  0.500764  1
  W  W48  1  0.832945  0.000233  0.500400  1
  W  W49  1  0.916440  0.125083  0.500680  1
  S  S50  1  0.167651  0.917670  0.387787  1
  S  S51  1  0.083333  0.540515  0.388940  1
  S  S52  1  0.167291  0.665403  0.387800  1
  S  S53  1  0.251609  0.791830  0.387992  1
  S  S54  1  0.334386  0.917150  0.389163  1
  S  S55  1  0.083333  0.291366  0.390135  1
  S  S56  1  0.166660  0.416113  0.389934  1
  S  S57  1  0.250162  0.541106  0.389705  1
  S  S58  1  0.333755  0.666558  0.390012  1
  S  S59  1  0.417248  0.791863  0.390146  1
  S  S60  1  0.500324  0.916875  0.390144  1
  S  S61  1  0.083333  0.041973  0.389705  1
  S  S62  1  0.166710  0.166642  0.390105  1
  S  S63  1  0.249961  0.291473  0.390034  1
  S  S64  1  0.333345  0.416461  0.389954  1
  S  S65  1  0.416740  0.541695  0.390190  1
  S  S66  1  0.500143  0.666855  0.390533  1
  S  S67  1  0.583333  0.791874  0.390558  1
  S  S68  1  0.666343  0.916875  0.390144  1
  S  S69  1  0.250450  0.041991  0.389632  1
  S  S70  1  0.333471  0.166729  0.389855  1
  S  S71  1  0.416693  0.291672  0.389866  1
  S  S72  1  0.500021  0.416762  0.389989  1
  S  S73  1  0.583333  0.541849  0.390223  1
  S  S74  1  0.666524  0.666855  0.390533  1
  S  S75  1  0.749418  0.791864  0.390146  1
  S  S76  1  0.832281  0.917150  0.389163  1
  S  S77  1  0.417024  0.041887  0.389794  1
  S  S78  1  0.500043  0.166820  0.389808  1
  S  S79  1  0.583333  0.291776  0.389872  1
  S  S80  1  0.666646  0.416762  0.389989  1
  S  S81  1  0.749927  0.541695  0.390190  1
  S  S82  1  0.832911  0.666558  0.390012  1
  S  S83  1  0.915058  0.791830  0.387992  1
  S  S84  1  -0.000984  0.917670  0.387787  1
  S  S85  1  0.583333  0.041867  0.389834  1
  S  S86  1  0.666624  0.166820  0.389808  1
  S  S87  1  0.749974  0.291672  0.389866  1
  S  S88  1  0.833322  0.416461  0.389954  1
  S  S89  1  0.916505  0.541106  0.389705  1
  S  S90  1  -0.000624  0.665403  0.387800  1
  S  S91  1  0.749643  0.041887  0.389794  1
  S  S92  1  0.833196  0.166729  0.389855  1
  S  S93  1  0.916705  0.291473  0.390034  1
  S  S94  1  0.000007  0.416113  0.389934  1
  S  S95  1  0.916217  0.041991  0.389633  1
  S  S96  1  -0.000042  0.166642  0.390105  1
  S  S97  1  0.083333  0.791659  0.603016  1
  S  S98  1  0.166879  0.916366  0.609147  1
  S  S99  1  0.083333  0.541718  0.610546  1
  S  S100  1  0.166165  0.666536  0.609117  1
  S  S101  1  0.249723  0.792062  0.609317  1
  S  S102  1  0.333097  0.916721  0.610813  1
  S  S103  1  0.083333  0.291409  0.611728  1
  S  S104  1  0.166668  0.416448  0.611450  1
  S  S105  1  0.249876  0.541428  0.611185  1
  S  S106  1  0.333116  0.666685  0.611213  1
  S  S107  1  0.416631  0.791952  0.611687  1
  S  S108  1  0.499986  0.917012  0.611753  1
  S  S109  1  0.083333  0.041431  0.610958  1
  S  S110  1  0.166748  0.166479  0.611554  1
  S  S111  1  0.250081  0.291493  0.611546  1
  S  S112  1  0.333366  0.416482  0.611469  1
  S  S113  1  0.416614  0.541592  0.611562  1
  S  S114  1  0.499960  0.666748  0.611920  1
  S  S115  1  0.583334  0.791944  0.612160  1
  S  S116  1  0.666680  0.917012  0.611753  1
  S  S117  1  0.250183  0.041636  0.611184  1
  S  S118  1  0.333496  0.166696  0.611449  1
  S  S119  1  0.416713  0.291651  0.611408  1
  S  S120  1  0.499996  0.416652  0.611438  1
  S  S121  1  0.583333  0.541629  0.611686  1
  S  S122  1  0.666707  0.666749  0.611920  1
  S  S123  1  0.750035  0.791952  0.611687  1
  S  S124  1  0.833570  0.916721  0.610813  1
  S  S125  1  0.416767  0.041818  0.611401  1
  S  S126  1  0.500059  0.166788  0.611364  1
  S  S127  1  0.583333  0.291728  0.611379  1
  S  S128  1  0.666671  0.416652  0.611438  1
  S  S129  1  0.750053  0.541592  0.611562  1
  S  S130  1  0.833551  0.666685  0.611213  1
  S  S131  1  0.916943  0.792062  0.609317  1
  S  S132  1  -0.000213  0.916366  0.609147  1
  S  S133  1  0.583333  0.041980  0.611541  1
  S  S134  1  0.666607  0.166788  0.611364  1
  S  S135  1  0.749953  0.291651  0.611408  1
  S  S136  1  0.833301  0.416482  0.611469  1
  S  S137  1  0.916790  0.541428  0.611185  1
  S  S138  1  0.000502  0.666536  0.609117  1
  S  S139  1  0.749900  0.041818  0.611401  1
  S  S140  1  0.833171  0.166696  0.611449  1
  S  S141  1  0.916586  0.291493  0.611546  1
  S  S142  1  -0.000002  0.416448  0.611450  1
  S  S143  1  0.916484  0.041636  0.611184  1
  S  S144  1  -0.000081  0.166479  0.611554  1
