# 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  0.791712  0.338975  1
  W  W2  1  0.000669  0.750337  0.502010  1
  W  W3  1  0.083333  0.874400  0.502002  1
  W  W4  1  -0.000091  0.500105  0.500483  1
  W  W5  1  0.083333  0.625738  0.501140  1
  W  W6  1  0.165998  0.750337  0.502010  1
  W  W7  1  0.249331  0.874662  0.501113  1
  W  W8  1  0.000007  0.250215  0.500005  1
  W  W9  1  0.083333  0.375263  0.500170  1
  W  W10  1  0.166758  0.500105  0.500483  1
  W  W11  1  0.250205  0.624991  0.500604  1
  W  W12  1  0.333486  0.749832  0.500587  1
  W  W13  1  0.416741  0.874838  0.500434  1
  W  W14  1  0.000073  0.000228  0.500622  1
  W  W15  1  0.083333  0.125401  0.500257  1
  W  W16  1  0.166660  0.250215  0.500005  1
  W  W17  1  0.249956  0.375138  0.500085  1
  W  W18  1  0.333416  0.500015  0.500180  1
  W  W19  1  0.416935  0.624812  0.500258  1
  W  W20  1  0.500044  0.749834  0.500208  1
  W  W21  1  0.583333  0.874885  0.500252  1
  W  W22  1  0.166594  0.000228  0.500622  1
  W  W23  1  0.249928  0.125144  0.500165  1
  W  W24  1  0.333297  0.250106  0.499914  1
  W  W25  1  0.416695  0.374966  0.499914  1
  W  W26  1  0.500016  0.499893  0.499996  1
  W  W27  1  0.583333  0.624878  0.500073  1
  W  W28  1  0.666623  0.749834  0.500208  1
  W  W29  1  0.749925  0.874838  0.500434  1
  W  W30  1  0.333266  0.000050  0.500454  1
  W  W31  1  0.416627  0.124927  0.500044  1
  W  W32  1  0.499943  0.249914  0.499820  1
  W  W33  1  0.583333  0.374933  0.499856  1
  W  W34  1  0.666651  0.499893  0.499996  1
  W  W35  1  0.749732  0.624812  0.500258  1
  W  W36  1  0.833180  0.749832  0.500587  1
  W  W37  1  0.917335  0.874662  0.501113  1
  W  W38  1  0.499920  -0.000155  0.500176  1
  W  W39  1  0.583333  0.124880  0.499905  1
  W  W40  1  0.666723  0.249914  0.499820  1
  W  W41  1  0.749972  0.374966  0.499914  1
  W  W42  1  0.833251  0.500015  0.500180  1
  W  W43  1  0.916462  0.624991  0.500604  1
  W  W44  1  0.666747  -0.000155  0.500176  1
  W  W45  1  0.750040  0.124927  0.500044  1
  W  W46  1  0.833370  0.250106  0.499914  1
  W  W47  1  0.916711  0.375138  0.500085  1
  W  W48  1  0.833401  0.000050  0.500454  1
  W  W49  1  0.916739  0.125144  0.500165  1
  S  S50  1  0.166648  0.916277  0.390462  1
  S  S51  1  0.083333  0.542168  0.390232  1
  S  S52  1  0.166245  0.666932  0.390443  1
  S  S53  1  0.249562  0.791856  0.390453  1
  S  S54  1  0.332941  0.916423  0.390215  1
  S  S55  1  0.083333  0.291969  0.389271  1
  S  S56  1  0.166615  0.416921  0.389428  1
  S  S57  1  0.249975  0.541705  0.389664  1
  S  S58  1  0.333539  0.666547  0.389784  1
  S  S59  1  0.416697  0.791607  0.389635  1
  S  S60  1  0.499936  0.916522  0.389474  1
  S  S61  1  0.083333  0.041950  0.389838  1
  S  S62  1  0.166655  0.166857  0.389315  1
  S  S63  1  0.249962  0.291839  0.389180  1
  S  S64  1  0.333308  0.416732  0.389293  1
  S  S65  1  0.416708  0.541599  0.389299  1
  S  S66  1  0.500057  0.666566  0.389316  1
  S  S67  1  0.583333  0.791555  0.389434  1
  S  S68  1  0.666731  0.916522  0.389474  1
  S  S69  1  0.250000  0.041692  0.389681  1
  S  S70  1  0.333276  0.166673  0.389300  1
  S  S71  1  0.416623  0.291660  0.389070  1
  S  S72  1  0.499996  0.416611  0.389107  1
  S  S73  1  0.583333  0.541575  0.389217  1
  S  S74  1  0.666610  0.666566  0.389316  1
  S  S75  1  0.749970  0.791607  0.389635  1
  S  S76  1  0.833726  0.916423  0.390215  1
  S  S77  1  0.416571  0.041497  0.389440  1
  S  S78  1  0.499944  0.166512  0.389143  1
  S  S79  1  0.583333  0.291565  0.389098  1
  S  S80  1  0.666671  0.416611  0.389107  1
  S  S81  1  0.749958  0.541599  0.389299  1
  S  S82  1  0.833128  0.666547  0.389784  1
  S  S83  1  0.917105  0.791856  0.390453  1
  S  S84  1  0.000018  0.916277  0.390462  1
  S  S85  1  0.583333  0.041409  0.389343  1
  S  S86  1  0.666723  0.166512  0.389143  1
  S  S87  1  0.750044  0.291660  0.389070  1
  S  S88  1  0.833359  0.416732  0.389293  1
  S  S89  1  0.916692  0.541705  0.389664  1
  S  S90  1  0.000422  0.666932  0.390443  1
  S  S91  1  0.750096  0.041497  0.389440  1
  S  S92  1  0.833390  0.166673  0.389300  1
  S  S93  1  0.916705  0.291839  0.389180  1
  S  S94  1  0.000052  0.416921  0.389428  1
  S  S95  1  0.916667  0.041692  0.389681  1
  S  S96  1  0.000012  0.166857  0.389315  1
  S  S97  1  0.083333  0.791707  0.611669  1
  S  S98  1  0.166250  0.916986  0.612082  1
  S  S99  1  0.083333  0.541835  0.611168  1
  S  S100  1  0.167173  0.666880  0.612103  1
  S  S101  1  0.250080  0.791196  0.612072  1
  S  S102  1  0.333277  0.916585  0.611099  1
  S  S103  1  0.083333  0.291862  0.610798  1
  S  S104  1  0.166715  0.416731  0.611076  1
  S  S105  1  0.250198  0.541591  0.611237  1
  S  S106  1  0.333717  0.666466  0.611172  1
  S  S107  1  0.416872  0.791519  0.611205  1
  S  S108  1  0.500055  0.916581  0.611098  1
  S  S109  1  0.083333  0.042131  0.611166  1
  S  S110  1  0.166687  0.166993  0.610970  1
  S  S111  1  0.250018  0.291782  0.610775  1
  S  S112  1  0.333420  0.416615  0.610808  1
  S  S113  1  0.416841  0.541506  0.610999  1
  S  S114  1  0.500143  0.666505  0.611028  1
  S  S115  1  0.583333  0.791522  0.610995  1
  S  S116  1  0.666612  0.916581  0.611098  1
  S  S117  1  0.250021  0.041918  0.611200  1
  S  S118  1  0.333359  0.166800  0.610765  1
  S  S119  1  0.416688  0.291640  0.610664  1
  S  S120  1  0.500042  0.416539  0.610708  1
  S  S121  1  0.583333  0.541507  0.610796  1
  S  S122  1  0.666524  0.666505  0.611028  1
  S  S123  1  0.749795  0.791519  0.611205  1
  S  S124  1  0.833390  0.916585  0.611099  1
  S  S125  1  0.416697  0.041690  0.611013  1
  S  S126  1  0.500040  0.166612  0.610662  1
  S  S127  1  0.583333  0.291550  0.610540  1
  S  S128  1  0.666625  0.416539  0.610708  1
  S  S129  1  0.749826  0.541506  0.611000  1
  S  S130  1  0.832950  0.666466  0.611172  1
  S  S131  1  0.916587  0.791196  0.612072  1
  S  S132  1  0.000417  0.916986  0.612082  1
  S  S133  1  0.583333  0.041594  0.610773  1
  S  S134  1  0.666627  0.166612  0.610662  1
  S  S135  1  0.749979  0.291640  0.610664  1
  S  S136  1  0.833247  0.416615  0.610808  1
  S  S137  1  0.916468  0.541591  0.611237  1
  S  S138  1  -0.000507  0.666880  0.612103  1
  S  S139  1  0.749969  0.041690  0.611013  1
  S  S140  1  0.833307  0.166800  0.610765  1
  S  S141  1  0.916649  0.291782  0.610775  1
  S  S142  1  -0.000048  0.416731  0.611076  1
  S  S143  1  0.916646  0.041918  0.611200  1
  S  S144  1  -0.000020  0.166993  0.610970  1
