# generated using pymatgen
data_GaW48S95
_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   GaW48S95
_chemical_formula_sum   'Ga1 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
  Ga  Ga1  1  0.083340  0.792490  0.302135  1
  W  W2  1  0.003239  0.751604  0.509531  1
  W  W3  1  0.083333  0.871729  0.509589  1
  W  W4  1  0.000090  0.500862  0.500861  1
  W  W5  1  0.083333  0.626955  0.504799  1
  W  W6  1  0.163428  0.751604  0.509531  1
  W  W7  1  0.248089  0.873977  0.504703  1
  W  W8  1  0.000108  0.250090  0.499263  1
  W  W9  1  0.083333  0.375488  0.499831  1
  W  W10  1  0.166577  0.500862  0.500861  1
  W  W11  1  0.249395  0.626032  0.501314  1
  W  W12  1  0.332112  0.749969  0.501202  1
  W  W13  1  0.415981  0.874573  0.500751  1
  W  W14  1  0.000691  -0.000989  0.501423  1
  W  W15  1  0.083333  0.124709  0.499680  1
  W  W16  1  0.166559  0.250090  0.499263  1
  W  W17  1  0.249833  0.375371  0.499333  1
  W  W18  1  0.333039  0.500567  0.499271  1
  W  W19  1  0.416375  0.625247  0.499195  1
  W  W20  1  0.499634  0.749959  0.499221  1
  W  W21  1  0.583333  0.874725  0.499710  1
  W  W22  1  0.165975  -0.000989  0.501423  1
  W  W23  1  0.249581  0.124564  0.499607  1
  W  W24  1  0.333086  0.249939  0.499027  1
  W  W25  1  0.416487  0.375191  0.498689  1
  W  W26  1  0.499913  0.500214  0.498448  1
  W  W27  1  0.583333  0.625169  0.498526  1
  W  W28  1  0.667032  0.749959  0.499221  1
  W  W29  1  0.750685  0.874573  0.500751  1
  W  W30  1  0.332581  -0.000566  0.500880  1
  W  W31  1  0.416343  0.124657  0.499516  1
  W  W32  1  0.499878  0.249857  0.498895  1
  W  W33  1  0.583333  0.375077  0.498485  1
  W  W34  1  0.666753  0.500214  0.498448  1
  W  W35  1  0.750291  0.625247  0.499195  1
  W  W36  1  0.834555  0.749969  0.501202  1
  W  W37  1  0.918577  0.873977  0.504703  1
  W  W38  1  0.499715  -0.000421  0.500055  1
  W  W39  1  0.583333  0.124640  0.499425  1
  W  W40  1  0.666788  0.249857  0.498895  1
  W  W41  1  0.750179  0.375191  0.498689  1
  W  W42  1  0.833628  0.500567  0.499271  1
  W  W43  1  0.917272  0.626032  0.501314  1
  W  W44  1  0.666952  -0.000421  0.500055  1
  W  W45  1  0.750323  0.124657  0.499516  1
  W  W46  1  0.833580  0.249939  0.499027  1
  W  W47  1  0.916834  0.375371  0.499333  1
  W  W48  1  0.834086  -0.000566  0.500880  1
  W  W49  1  0.917086  0.124564  0.499607  1
  S  S50  1  0.164024  0.912492  0.394311  1
  S  S51  1  0.083333  0.544072  0.391762  1
  S  S52  1  0.163803  0.670725  0.394297  1
  S  S53  1  0.244514  0.791732  0.394252  1
  S  S54  1  0.331045  0.915418  0.391695  1
  S  S55  1  0.083333  0.292118  0.388801  1
  S  S56  1  0.166383  0.417741  0.389410  1
  S  S57  1  0.249062  0.543028  0.389727  1
  S  S58  1  0.332171  0.667277  0.389681  1
  S  S59  1  0.415108  0.791661  0.389629  1
  S  S60  1  0.499272  0.916190  0.389558  1
  S  S61  1  0.083333  0.040579  0.389956  1
  S  S62  1  0.166505  0.166390  0.388799  1
  S  S63  1  0.249736  0.291905  0.388565  1
  S  S64  1  0.332888  0.417186  0.388455  1
  S  S65  1  0.416168  0.542082  0.388197  1
  S  S66  1  0.499586  0.666925  0.388154  1
  S  S67  1  0.583333  0.791674  0.388662  1
  S  S68  1  0.667394  0.916190  0.389558  1
  S  S69  1  0.249121  0.040366  0.389906  1
  S  S70  1  0.332917  0.166183  0.388787  1
  S  S71  1  0.416430  0.291576  0.388313  1
  S  S72  1  0.499832  0.416774  0.387907  1
  S  S73  1  0.583333  0.541896  0.387729  1
  S  S74  1  0.667081  0.666925  0.388154  1
  S  S75  1  0.751558  0.791661  0.389629  1
  S  S76  1  0.835621  0.915418  0.391695  1
  S  S77  1  0.415891  0.040832  0.389600  1
  S  S78  1  0.499803  0.166141  0.388753  1
  S  S79  1  0.583333  0.291454  0.388249  1
  S  S80  1  0.666835  0.416774  0.387907  1
  S  S81  1  0.750498  0.542082  0.388197  1
  S  S82  1  0.834495  0.667277  0.389681  1
  S  S83  1  0.922153  0.791732  0.394252  1
  S  S84  1  0.002643  0.912492  0.394312  1
  S  S85  1  0.583333  0.041000  0.389284  1
  S  S86  1  0.666864  0.166141  0.388753  1
  S  S87  1  0.750237  0.291576  0.388313  1
  S  S88  1  0.833779  0.417186  0.388455  1
  S  S89  1  0.917604  0.543028  0.389727  1
  S  S90  1  0.002863  0.670725  0.394297  1
  S  S91  1  0.750775  0.040832  0.389600  1
  S  S92  1  0.833749  0.166183  0.388787  1
  S  S93  1  0.916931  0.291905  0.388565  1
  S  S94  1  0.000284  0.417741  0.389410  1
  S  S95  1  0.917545  0.040366  0.389906  1
  S  S96  1  0.000162  0.166390  0.388799  1
  S  S97  1  0.083333  0.791630  0.623314  1
  S  S98  1  0.165765  0.917085  0.616184  1
  S  S99  1  0.083333  0.541687  0.612629  1
  S  S100  1  0.167644  0.667115  0.616184  1
  S  S101  1  0.250092  0.790651  0.616089  1
  S  S102  1  0.333425  0.916522  0.612522  1
  S  S103  1  0.083333  0.291814  0.610045  1
  S  S104  1  0.166793  0.416881  0.610637  1
  S  S105  1  0.250383  0.542098  0.611124  1
  S  S106  1  0.333658  0.666578  0.611213  1
  S  S107  1  0.416598  0.791144  0.610983  1
  S  S108  1  0.500020  0.916269  0.610753  1
  S  S109  1  0.083333  0.041831  0.611431  1
  S  S110  1  0.166553  0.166751  0.610128  1
  S  S111  1  0.249947  0.291819  0.609752  1
  S  S112  1  0.333391  0.416964  0.609640  1
  S  S113  1  0.416819  0.541802  0.609603  1
  S  S114  1  0.500089  0.666596  0.609617  1
  S  S115  1  0.583333  0.791296  0.609924  1
  S  S116  1  0.666647  0.916269  0.610753  1
  S  S117  1  0.249440  0.041631  0.611225  1
  S  S118  1  0.333026  0.166620  0.609892  1
  S  S119  1  0.416553  0.291767  0.609358  1
  S  S120  1  0.499996  0.416840  0.609080  1
  S  S121  1  0.583333  0.541796  0.609070  1
  S  S122  1  0.666578  0.666596  0.609617  1
  S  S123  1  0.750069  0.791144  0.610983  1
  S  S124  1  0.833242  0.916522  0.612522  1
  S  S125  1  0.416439  0.041522  0.610700  1
  S  S126  1  0.499879  0.166562  0.609786  1
  S  S127  1  0.583333  0.291712  0.609269  1
  S  S128  1  0.666670  0.416840  0.609080  1
  S  S129  1  0.749848  0.541802  0.609603  1
  S  S130  1  0.833008  0.666578  0.611213  1
  S  S131  1  0.916575  0.790651  0.616089  1
  S  S132  1  0.000902  0.917085  0.616184  1
  S  S133  1  0.583333  0.041419  0.610394  1
  S  S134  1  0.666788  0.166562  0.609786  1
  S  S135  1  0.750114  0.291767  0.609358  1
  S  S136  1  0.833276  0.416964  0.609640  1
  S  S137  1  0.916284  0.542098  0.611124  1
  S  S138  1  -0.000977  0.667115  0.616184  1
  S  S139  1  0.750227  0.041522  0.610700  1
  S  S140  1  0.833640  0.166619  0.609892  1
  S  S141  1  0.916719  0.291819  0.609752  1
  S  S142  1  -0.000126  0.416881  0.610637  1
  S  S143  1  0.917227  0.041631  0.611225  1
  S  S144  1  0.000113  0.166751  0.610128  1
