# 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  0.791883  0.337957  1
  W  W2  1  0.002134  0.750519  0.503236  1
  W  W3  1  0.083333  0.873648  0.502932  1
  W  W4  1  -0.000121  0.500105  0.500343  1
  W  W5  1  0.083333  0.626077  0.501750  1
  W  W6  1  0.164533  0.750519  0.503236  1
  W  W7  1  0.248896  0.874625  0.501579  1
  W  W8  1  0.000005  0.250236  0.499972  1
  W  W9  1  0.083333  0.375498  0.500096  1
  W  W10  1  0.166788  0.500105  0.500343  1
  W  W11  1  0.250249  0.625016  0.500266  1
  W  W12  1  0.333392  0.749727  0.500121  1
  W  W13  1  0.416758  0.874785  0.500215  1
  W  W14  1  0.000171  0.000307  0.500332  1
  W  W15  1  0.083333  0.125609  0.500115  1
  W  W16  1  0.166662  0.250236  0.499972  1
  W  W17  1  0.249831  0.375265  0.500062  1
  W  W18  1  0.333450  0.500099  0.499999  1
  W  W19  1  0.417106  0.624729  0.500094  1
  W  W20  1  0.499966  0.749777  0.499957  1
  W  W21  1  0.583333  0.874854  0.500101  1
  W  W22  1  0.166496  0.000307  0.500332  1
  W  W23  1  0.249845  0.125143  0.500002  1
  W  W24  1  0.333270  0.250173  0.499919  1
  W  W25  1  0.416740  0.374957  0.499965  1
  W  W26  1  0.499896  0.499931  0.500006  1
  W  W27  1  0.583333  0.624914  0.499992  1
  W  W28  1  0.666701  0.749777  0.499957  1
  W  W29  1  0.749909  0.874785  0.500215  1
  W  W30  1  0.333262  0.000032  0.500316  1
  W  W31  1  0.416597  0.124792  0.500043  1
  W  W32  1  0.499812  0.249893  0.499928  1
  W  W33  1  0.583333  0.374951  0.500000  1
  W  W34  1  0.666771  0.499931  0.500006  1
  W  W35  1  0.749560  0.624729  0.500094  1
  W  W36  1  0.833275  0.749727  0.500121  1
  W  W37  1  0.917771  0.874625  0.501579  1
  W  W38  1  0.499779  -0.000294  0.500047  1
  W  W39  1  0.583333  0.124822  0.499946  1
  W  W40  1  0.666855  0.249893  0.499928  1
  W  W41  1  0.749927  0.374957  0.499965  1
  W  W42  1  0.833217  0.500099  0.499999  1
  W  W43  1  0.916417  0.625016  0.500266  1
  W  W44  1  0.666888  -0.000294  0.500047  1
  W  W45  1  0.750070  0.124792  0.500043  1
  W  W46  1  0.833396  0.250173  0.499919  1
  W  W47  1  0.916836  0.375265  0.500062  1
  W  W48  1  0.833405  0.000032  0.500316  1
  W  W49  1  0.916821  0.125143  0.500002  1
  S  S50  1  0.166374  0.916078  0.390968  1
  S  S51  1  0.083333  0.542620  0.390344  1
  S  S52  1  0.165972  0.667121  0.390995  1
  S  S53  1  0.248680  0.791857  0.391165  1
  S  S54  1  0.332523  0.916180  0.390280  1
  S  S55  1  0.083333  0.292136  0.389325  1
  S  S56  1  0.166560  0.417003  0.389217  1
  S  S57  1  0.249956  0.541622  0.389385  1
  S  S58  1  0.333608  0.666472  0.389430  1
  S  S59  1  0.416716  0.791646  0.389261  1
  S  S60  1  0.499919  0.916492  0.389202  1
  S  S61  1  0.083333  0.042084  0.389569  1
  S  S62  1  0.166626  0.166946  0.389125  1
  S  S63  1  0.249971  0.291899  0.389181  1
  S  S64  1  0.333322  0.416755  0.389289  1
  S  S65  1  0.416760  0.541594  0.389049  1
  S  S66  1  0.500085  0.666523  0.389039  1
  S  S67  1  0.583333  0.791490  0.389195  1
  S  S68  1  0.666748  0.916492  0.389202  1
  S  S69  1  0.250086  0.041703  0.389452  1
  S  S70  1  0.333270  0.166672  0.389311  1
  S  S71  1  0.416586  0.291689  0.389098  1
  S  S72  1  0.500015  0.416603  0.389184  1
  S  S73  1  0.583333  0.541539  0.389276  1
  S  S74  1  0.666581  0.666523  0.389039  1
  S  S75  1  0.749950  0.791646  0.389261  1
  S  S76  1  0.834144  0.916180  0.390280  1
  S  S77  1  0.416540  0.041433  0.389264  1
  S  S78  1  0.499951  0.166493  0.389246  1
  S  S79  1  0.583333  0.291524  0.389346  1
  S  S80  1  0.666651  0.416603  0.389184  1
  S  S81  1  0.749907  0.541594  0.389049  1
  S  S82  1  0.833059  0.666472  0.389430  1
  S  S83  1  0.917987  0.791857  0.391165  1
  S  S84  1  0.000293  0.916078  0.390968  1
  S  S85  1  0.583333  0.041270  0.389376  1
  S  S86  1  0.666716  0.166493  0.389246  1
  S  S87  1  0.750081  0.291689  0.389098  1
  S  S88  1  0.833345  0.416755  0.389289  1
  S  S89  1  0.916711  0.541622  0.389385  1
  S  S90  1  0.000695  0.667121  0.390995  1
  S  S91  1  0.750127  0.041433  0.389264  1
  S  S92  1  0.833397  0.166672  0.389311  1
  S  S93  1  0.916695  0.291899  0.389181  1
  S  S94  1  0.000107  0.417003  0.389217  1
  S  S95  1  0.916581  0.041703  0.389452  1
  S  S96  1  0.000041  0.166946  0.389125  1
  S  S97  1  0.083333  0.791835  0.614484  1
  S  S98  1  0.166059  0.917289  0.612465  1
  S  S99  1  0.083333  0.541831  0.611170  1
  S  S100  1  0.167639  0.666862  0.612595  1
  S  S101  1  0.250043  0.790840  0.612200  1
  S  S102  1  0.333244  0.916504  0.610988  1
  S  S103  1  0.083333  0.292010  0.610686  1
  S  S104  1  0.166709  0.416866  0.611157  1
  S  S105  1  0.250195  0.541572  0.611097  1
  S  S106  1  0.333795  0.666464  0.610829  1
  S  S107  1  0.416799  0.791494  0.610974  1
  S  S108  1  0.500028  0.916465  0.611042  1
  S  S109  1  0.083333  0.042259  0.610929  1
  S  S110  1  0.166654  0.167001  0.610969  1
  S  S111  1  0.249980  0.291853  0.610758  1
  S  S112  1  0.333367  0.416744  0.610704  1
  S  S113  1  0.416791  0.541587  0.611059  1
  S  S114  1  0.500098  0.666530  0.611011  1
  S  S115  1  0.583333  0.791431  0.610772  1
  S  S116  1  0.666638  0.916465  0.611042  1
  S  S117  1  0.250059  0.041907  0.611054  1
  S  S118  1  0.333263  0.166731  0.610645  1
  S  S119  1  0.416592  0.291668  0.610770  1
  S  S120  1  0.500016  0.416581  0.610791  1
  S  S121  1  0.583333  0.541542  0.610760  1
  S  S122  1  0.666568  0.666530  0.611011  1
  S  S123  1  0.749868  0.791494  0.610974  1
  S  S124  1  0.833423  0.916504  0.610988  1
  S  S125  1  0.416614  0.041578  0.611035  1
  S  S126  1  0.500017  0.166528  0.610674  1
  S  S127  1  0.583333  0.291494  0.610557  1
  S  S128  1  0.666650  0.416581  0.610791  1
  S  S129  1  0.749875  0.541587  0.611059  1
  S  S130  1  0.832872  0.666464  0.610829  1
  S  S131  1  0.916624  0.790840  0.612200  1
  S  S132  1  0.000608  0.917289  0.612465  1
  S  S133  1  0.583333  0.041385  0.610599  1
  S  S134  1  0.666650  0.166528  0.610674  1
  S  S135  1  0.750075  0.291668  0.610770  1
  S  S136  1  0.833299  0.416744  0.610704  1
  S  S137  1  0.916471  0.541572  0.611097  1
  S  S138  1  -0.000972  0.666862  0.612595  1
  S  S139  1  0.750053  0.041578  0.611035  1
  S  S140  1  0.833403  0.166731  0.610645  1
  S  S141  1  0.916687  0.291853  0.610758  1
  S  S142  1  -0.000043  0.416866  0.611157  1
  S  S143  1  0.916608  0.041907  0.611054  1
  S  S144  1  0.000012  0.167001  0.610969  1
