# 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  0.791711  0.335713  1
  W  W2  1  0.002477  0.750963  0.504155  1
  W  W3  1  0.083333  0.872987  0.504059  1
  W  W4  1  -0.000092  0.500360  0.500245  1
  W  W5  1  0.083333  0.626460  0.502012  1
  W  W6  1  0.164190  0.750963  0.504155  1
  W  W7  1  0.248534  0.874319  0.501916  1
  W  W8  1  0.000051  0.250195  0.499967  1
  W  W9  1  0.083333  0.375648  0.500068  1
  W  W10  1  0.166759  0.500360  0.500245  1
  W  W11  1  0.250126  0.625271  0.500046  1
  W  W12  1  0.333181  0.749749  0.499995  1
  W  W13  1  0.416633  0.874654  0.500158  1
  W  W14  1  0.000319  0.000010  0.500122  1
  W  W15  1  0.083333  0.125470  0.499988  1
  W  W16  1  0.166615  0.250195  0.499967  1
  W  W17  1  0.249763  0.375403  0.500008  1
  W  W18  1  0.333297  0.500328  0.499866  1
  W  W19  1  0.417050  0.624866  0.499973  1
  W  W20  1  0.499856  0.749785  0.499859  1
  W  W21  1  0.583333  0.874751  0.500008  1
  W  W22  1  0.166348  0.000010  0.500122  1
  W  W23  1  0.249691  0.124909  0.499877  1
  W  W24  1  0.333143  0.250123  0.499912  1
  W  W25  1  0.416658  0.375094  0.499965  1
  W  W26  1  0.499830  0.500106  0.500012  1
  W  W27  1  0.583333  0.625023  0.499994  1
  W  W28  1  0.666810  0.749785  0.499859  1
  W  W29  1  0.750033  0.874654  0.500158  1
  W  W30  1  0.333068  -0.000132  0.500239  1
  W  W31  1  0.416458  0.124647  0.500008  1
  W  W32  1  0.499764  0.249882  0.499955  1
  W  W33  1  0.583333  0.375019  0.500032  1
  W  W34  1  0.666836  0.500106  0.500012  1
  W  W35  1  0.749616  0.624866  0.499973  1
  W  W36  1  0.833486  0.749749  0.499995  1
  W  W37  1  0.918133  0.874319  0.501915  1
  W  W38  1  0.499663  -0.000482  0.500010  1
  W  W39  1  0.583333  0.124677  0.499951  1
  W  W40  1  0.666903  0.249882  0.499955  1
  W  W41  1  0.750009  0.375094  0.499965  1
  W  W42  1  0.833369  0.500328  0.499866  1
  W  W43  1  0.916541  0.625271  0.500046  1
  W  W44  1  0.667004  -0.000482  0.500010  1
  W  W45  1  0.750209  0.124647  0.500008  1
  W  W46  1  0.833523  0.250123  0.499912  1
  W  W47  1  0.916904  0.375403  0.500008  1
  W  W48  1  0.833599  -0.000132  0.500239  1
  W  W49  1  0.916976  0.124909  0.499877  1
  S  S50  1  0.166102  0.915328  0.391223  1
  S  S51  1  0.083333  0.543009  0.390440  1
  S  S52  1  0.165509  0.667720  0.391251  1
  S  S53  1  0.248143  0.791942  0.391323  1
  S  S54  1  0.332177  0.915932  0.390460  1
  S  S55  1  0.083333  0.292196  0.389525  1
  S  S56  1  0.166502  0.417208  0.389307  1
  S  S57  1  0.249799  0.541880  0.389259  1
  S  S58  1  0.333479  0.666597  0.389312  1
  S  S59  1  0.416570  0.791618  0.389187  1
  S  S60  1  0.499798  0.916324  0.389243  1
  S  S61  1  0.083333  0.041874  0.389450  1
  S  S62  1  0.166583  0.166838  0.389193  1
  S  S63  1  0.249884  0.291935  0.389392  1
  S  S64  1  0.333231  0.416934  0.389437  1
  S  S65  1  0.416677  0.541756  0.389112  1
  S  S66  1  0.500046  0.666603  0.389055  1
  S  S67  1  0.583333  0.791431  0.389206  1
  S  S68  1  0.666869  0.916324  0.389243  1
  S  S69  1  0.249944  0.041438  0.389355  1
  S  S70  1  0.333127  0.166540  0.389499  1
  S  S71  1  0.416498  0.291714  0.389424  1
  S  S72  1  0.499977  0.416738  0.389469  1
  S  S73  1  0.583333  0.541689  0.389472  1
  S  S74  1  0.666621  0.666603  0.389055  1
  S  S75  1  0.750097  0.791618  0.389187  1
  S  S76  1  0.834490  0.915932  0.390460  1
  S  S77  1  0.416389  0.041222  0.389384  1
  S  S78  1  0.499874  0.166394  0.389566  1
  S  S79  1  0.583333  0.291549  0.389690  1
  S  S80  1  0.666690  0.416738  0.389469  1
  S  S81  1  0.749990  0.541757  0.389112  1
  S  S82  1  0.833188  0.666597  0.389312  1
  S  S83  1  0.918524  0.791942  0.391324  1
  S  S84  1  0.000564  0.915328  0.391223  1
  S  S85  1  0.583333  0.041071  0.389595  1
  S  S86  1  0.666793  0.166394  0.389566  1
  S  S87  1  0.750169  0.291715  0.389424  1
  S  S88  1  0.833436  0.416934  0.389437  1
  S  S89  1  0.916867  0.541880  0.389259  1
  S  S90  1  0.001158  0.667720  0.391251  1
  S  S91  1  0.750277  0.041222  0.389384  1
  S  S92  1  0.833539  0.166540  0.389499  1
  S  S93  1  0.916782  0.291935  0.389392  1
  S  S94  1  0.000165  0.417208  0.389307  1
  S  S95  1  0.916722  0.041438  0.389355  1
  S  S96  1  0.000084  0.166838  0.389193  1
  S  S97  1  0.083333  0.791773  0.616382  1
  S  S98  1  0.165859  0.917265  0.612903  1
  S  S99  1  0.083333  0.542023  0.611011  1
  S  S100  1  0.167713  0.667029  0.612904  1
  S  S101  1  0.250069  0.790685  0.612709  1
  S  S102  1  0.333121  0.916387  0.610877  1
  S  S103  1  0.083333  0.292068  0.610458  1
  S  S104  1  0.166684  0.417089  0.610924  1
  S  S105  1  0.250118  0.541873  0.610920  1
  S  S106  1  0.333640  0.666558  0.610668  1
  S  S107  1  0.416659  0.791411  0.610879  1
  S  S108  1  0.499963  0.916279  0.610869  1
  S  S109  1  0.083333  0.042034  0.610697  1
  S  S110  1  0.166577  0.166828  0.610751  1
  S  S111  1  0.249886  0.291913  0.610494  1
  S  S112  1  0.333243  0.416980  0.610428  1
  S  S113  1  0.416648  0.541801  0.610853  1
  S  S114  1  0.499991  0.666617  0.610876  1
  S  S115  1  0.583333  0.791368  0.610562  1
  S  S116  1  0.666703  0.916279  0.610869  1
  S  S117  1  0.249820  0.041681  0.610881  1
  S  S118  1  0.333063  0.166569  0.610353  1
  S  S119  1  0.416474  0.291707  0.610474  1
  S  S120  1  0.499947  0.416734  0.610551  1
  S  S121  1  0.583333  0.541698  0.610600  1
  S  S122  1  0.666676  0.666617  0.610876  1
  S  S123  1  0.750007  0.791411  0.610879  1
  S  S124  1  0.833546  0.916387  0.610877  1
  S  S125  1  0.416438  0.041392  0.610810  1
  S  S126  1  0.499919  0.166401  0.610372  1
  S  S127  1  0.583333  0.291520  0.610314  1
  S  S128  1  0.666719  0.416734  0.610551  1
  S  S129  1  0.750018  0.541801  0.610854  1
  S  S130  1  0.833027  0.666558  0.610668  1
  S  S131  1  0.916598  0.790685  0.612709  1
  S  S132  1  0.000808  0.917265  0.612903  1
  S  S133  1  0.583333  0.041164  0.610298  1
  S  S134  1  0.666748  0.166401  0.610372  1
  S  S135  1  0.750192  0.291708  0.610474  1
  S  S136  1  0.833424  0.416980  0.610428  1
  S  S137  1  0.916549  0.541873  0.610920  1
  S  S138  1  -0.001046  0.667029  0.612905  1
  S  S139  1  0.750229  0.041392  0.610810  1
  S  S140  1  0.833604  0.166569  0.610353  1
  S  S141  1  0.916780  0.291913  0.610494  1
  S  S142  1  -0.000017  0.417089  0.610924  1
  S  S143  1  0.916846  0.041681  0.610880  1
  S  S144  1  0.000090  0.166828  0.610751  1
