# generated using pymatgen
data_GaW47S96
_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   GaW47S96
_chemical_formula_sum   'Ga1 W47 S96'
_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
  Ga  Ga1  1  0.000000  0.749910  0.500000  1
  W  W2  1  0.086552  0.878461  0.500000  1
  W  W3  1  0.000000  0.498115  0.500000  1
  W  W4  1  0.085181  0.620790  0.500000  1
  W  W5  1  0.171582  0.750707  0.500000  1
  W  W6  1  0.251470  0.875991  0.500000  1
  W  W7  1  -0.000000  0.248969  0.500000  1
  W  W8  1  0.083539  0.373496  0.500000  1
  W  W9  1  0.166206  0.498288  0.500000  1
  W  W10  1  0.249918  0.625067  0.500000  1
  W  W11  1  0.334387  0.751325  0.500000  1
  W  W12  1  0.417398  0.875891  0.500000  1
  W  W13  1  0.000000  -0.000225  0.500000  1
  W  W14  1  0.083630  0.124572  0.500000  1
  W  W15  1  0.166907  0.249295  0.500000  1
  W  W16  1  0.250160  0.374262  0.500000  1
  W  W17  1  0.333282  0.499847  0.500000  1
  W  W18  1  0.416746  0.625378  0.500000  1
  W  W19  1  0.500000  0.750714  0.500000  1
  W  W20  1  0.582602  0.875891  0.500000  1
  W  W21  1  0.168468  0.000368  0.500000  1
  W  W22  1  0.250671  0.125240  0.500000  1
  W  W23  1  0.333635  0.249993  0.500000  1
  W  W24  1  0.416714  0.375054  0.500000  1
  W  W25  1  0.500000  0.500196  0.500000  1
  W  W26  1  0.583254  0.625378  0.500000  1
  W  W27  1  0.665613  0.751325  0.500000  1
  W  W28  1  0.748530  0.875991  0.500000  1
  W  W29  1  0.334224  0.000971  0.500000  1
  W  W30  1  0.416995  0.125564  0.500000  1
  W  W31  1  0.500000  0.250317  0.500000  1
  W  W32  1  0.583286  0.375054  0.500000  1
  W  W33  1  0.666718  0.499847  0.500000  1
  W  W34  1  0.750082  0.625068  0.500000  1
  W  W35  1  0.828418  0.750707  0.500000  1
  W  W36  1  0.913448  0.878461  0.500000  1
  W  W37  1  0.500000  0.000850  0.500000  1
  W  W38  1  0.583005  0.125564  0.500000  1
  W  W39  1  0.666365  0.249993  0.500000  1
  W  W40  1  0.749840  0.374262  0.500000  1
  W  W41  1  0.833794  0.498288  0.500000  1
  W  W42  1  0.914819  0.620790  0.500000  1
  W  W43  1  0.665776  0.000971  0.500000  1
  W  W44  1  0.749329  0.125240  0.500000  1
  W  W45  1  0.833093  0.249295  0.500000  1
  W  W46  1  0.916461  0.373496  0.500000  1
  W  W47  1  0.831532  0.000368  0.500000  1
  W  W48  1  0.916370  0.124572  0.500000  1
  S  S49  1  0.086448  0.793299  0.391848  1
  S  S50  1  0.168963  0.918030  0.388042  1
  S  S51  1  0.083472  0.539074  0.388195  1
  S  S52  1  0.166513  0.666731  0.390440  1
  S  S53  1  0.252277  0.792922  0.388095  1
  S  S54  1  0.334403  0.917662  0.389246  1
  S  S55  1  0.083402  0.290487  0.389177  1
  S  S56  1  0.166759  0.415363  0.389140  1
  S  S57  1  0.249735  0.541331  0.389656  1
  S  S58  1  0.333441  0.667153  0.389609  1
  S  S59  1  0.417285  0.792518  0.389034  1
  S  S60  1  0.500000  0.917652  0.388931  1
  S  S61  1  0.083787  0.041361  0.389521  1
  S  S62  1  0.166928  0.166197  0.389235  1
  S  S63  1  0.250170  0.291148  0.389216  1
  S  S64  1  0.333297  0.416551  0.389362  1
  S  S65  1  0.416553  0.541898  0.389501  1
  S  S66  1  0.500000  0.667113  0.389406  1
  S  S67  1  0.582715  0.792519  0.389034  1
  S  S68  1  0.665597  0.917662  0.389246  1
  S  S69  1  0.250973  0.042280  0.388978  1
  S  S70  1  0.333728  0.166945  0.389120  1
  S  S71  1  0.416756  0.291873  0.389198  1
  S  S72  1  0.500000  0.416864  0.389349  1
  S  S73  1  0.583447  0.541898  0.389501  1
  S  S74  1  0.666559  0.667154  0.389609  1
  S  S75  1  0.747723  0.792923  0.388095  1
  S  S76  1  0.831037  0.918030  0.388042  1
  S  S77  1  0.417083  0.042475  0.388989  1
  S  S78  1  0.500000  0.167211  0.389074  1
  S  S79  1  0.583244  0.291873  0.389198  1
  S  S80  1  0.666703  0.416551  0.389363  1
  S  S81  1  0.750265  0.541331  0.389656  1
  S  S82  1  0.833487  0.666732  0.390438  1
  S  S83  1  0.913552  0.793299  0.391848  1
  S  S84  1  0.000000  0.916447  0.390407  1
  S  S85  1  0.582917  0.042475  0.388989  1
  S  S86  1  0.666272  0.166945  0.389120  1
  S  S87  1  0.749830  0.291148  0.389216  1
  S  S88  1  0.833241  0.415363  0.389140  1
  S  S89  1  0.916528  0.539074  0.388195  1
  S  S90  1  0.000000  0.663404  0.391877  1
  S  S91  1  0.749027  0.042280  0.388978  1
  S  S92  1  0.833072  0.166197  0.389235  1
  S  S93  1  0.916598  0.290487  0.389178  1
  S  S94  1  -0.000000  0.414947  0.389373  1
  S  S95  1  0.916213  0.041361  0.389521  1
  S  S96  1  -0.000000  0.165794  0.389350  1
  S  S97  1  0.086448  0.793299  0.608152  1
  S  S98  1  0.168963  0.918030  0.611958  1
  S  S99  1  0.083472  0.539074  0.611805  1
  S  S100  1  0.166513  0.666732  0.609562  1
  S  S101  1  0.252277  0.792922  0.611905  1
  S  S102  1  0.334403  0.917662  0.610754  1
  S  S103  1  0.083402  0.290487  0.610822  1
  S  S104  1  0.166759  0.415363  0.610860  1
  S  S105  1  0.249735  0.541331  0.610344  1
  S  S106  1  0.333441  0.667153  0.610391  1
  S  S107  1  0.417285  0.792518  0.610966  1
  S  S108  1  0.500000  0.917652  0.611069  1
  S  S109  1  0.083787  0.041361  0.610479  1
  S  S110  1  0.166928  0.166197  0.610765  1
  S  S111  1  0.250170  0.291148  0.610784  1
  S  S112  1  0.333297  0.416551  0.610637  1
  S  S113  1  0.416553  0.541898  0.610499  1
  S  S114  1  0.500000  0.667113  0.610594  1
  S  S115  1  0.582715  0.792519  0.610966  1
  S  S116  1  0.665597  0.917662  0.610754  1
  S  S117  1  0.250973  0.042280  0.611022  1
  S  S118  1  0.333728  0.166945  0.610880  1
  S  S119  1  0.416756  0.291873  0.610802  1
  S  S120  1  0.500000  0.416864  0.610651  1
  S  S121  1  0.583447  0.541898  0.610499  1
  S  S122  1  0.666559  0.667154  0.610391  1
  S  S123  1  0.747723  0.792923  0.611905  1
  S  S124  1  0.831037  0.918030  0.611958  1
  S  S125  1  0.417083  0.042475  0.611011  1
  S  S126  1  0.500000  0.167211  0.610925  1
  S  S127  1  0.583244  0.291873  0.610802  1
  S  S128  1  0.666703  0.416551  0.610638  1
  S  S129  1  0.750265  0.541331  0.610344  1
  S  S130  1  0.833487  0.666732  0.609562  1
  S  S131  1  0.913552  0.793299  0.608152  1
  S  S132  1  0.000000  0.916447  0.609593  1
  S  S133  1  0.582917  0.042475  0.611011  1
  S  S134  1  0.666272  0.166945  0.610880  1
  S  S135  1  0.749830  0.291148  0.610784  1
  S  S136  1  0.833241  0.415363  0.610860  1
  S  S137  1  0.916528  0.539074  0.611805  1
  S  S138  1  0.000000  0.663404  0.608123  1
  S  S139  1  0.749027  0.042280  0.611022  1
  S  S140  1  0.833072  0.166197  0.610765  1
  S  S141  1  0.916598  0.290487  0.610822  1
  S  S142  1  0.000000  0.414947  0.610627  1
  S  S143  1  0.916213  0.041361  0.610479  1
  S  S144  1  0.000000  0.165794  0.610650  1
