# 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  0.083333  0.791880  0.298117  1
  W  W2  1  0.003228  0.751600  0.508654  1
  W  W3  1  0.083333  0.871640  0.508657  1
  W  W4  1  0.000119  0.500854  0.500837  1
  W  W5  1  0.083333  0.626975  0.504293  1
  W  W6  1  0.163439  0.751601  0.508654  1
  W  W7  1  0.248129  0.873942  0.504115  1
  W  W8  1  0.000098  0.249963  0.499378  1
  W  W9  1  0.083333  0.375399  0.499919  1
  W  W10  1  0.166547  0.500854  0.500838  1
  W  W11  1  0.249349  0.626051  0.501049  1
  W  W12  1  0.332124  0.750021  0.500848  1
  W  W13  1  0.415987  0.874602  0.500581  1
  W  W14  1  0.000637  -0.001106  0.501022  1
  W  W15  1  0.083333  0.124496  0.499530  1
  W  W16  1  0.166569  0.249963  0.499378  1
  W  W17  1  0.249823  0.375335  0.499606  1
  W  W18  1  0.332978  0.500650  0.499536  1
  W  W19  1  0.416303  0.625353  0.499285  1
  W  W20  1  0.499628  0.750030  0.499248  1
  W  W21  1  0.583333  0.874758  0.499705  1
  W  W22  1  0.166030  -0.001106  0.501022  1
  W  W23  1  0.249603  0.124437  0.499628  1
  W  W24  1  0.333080  0.249897  0.499422  1
  W  W25  1  0.416484  0.375265  0.499304  1
  W  W26  1  0.499895  0.500313  0.499027  1
  W  W27  1  0.583333  0.625279  0.498839  1
  W  W28  1  0.667039  0.750029  0.499249  1
  W  W29  1  0.750680  0.874602  0.500581  1
  W  W30  1  0.332637  -0.000624  0.500745  1
  W  W31  1  0.416386  0.124673  0.499789  1
  W  W32  1  0.499883  0.249937  0.499503  1
  W  W33  1  0.583333  0.375188  0.499228  1
  W  W34  1  0.666771  0.500313  0.499027  1
  W  W35  1  0.750364  0.625353  0.499285  1
  W  W36  1  0.834543  0.750021  0.500849  1
  W  W37  1  0.918537  0.873942  0.504115  1
  W  W38  1  0.499746  -0.000385  0.500141  1
  W  W39  1  0.583333  0.124692  0.499829  1
  W  W40  1  0.666783  0.249937  0.499503  1
  W  W41  1  0.750182  0.375265  0.499304  1
  W  W42  1  0.833688  0.500650  0.499535  1
  W  W43  1  0.917317  0.626052  0.501049  1
  W  W44  1  0.666921  -0.000386  0.500141  1
  W  W45  1  0.750280  0.124672  0.499790  1
  W  W46  1  0.833587  0.249897  0.499422  1
  W  W47  1  0.916843  0.375335  0.499606  1
  W  W48  1  0.834031  -0.000624  0.500744  1
  W  W49  1  0.917064  0.124437  0.499628  1
  S  S50  1  0.164138  0.912480  0.393631  1
  S  S51  1  0.083333  0.543926  0.391602  1
  S  S52  1  0.163837  0.670600  0.393685  1
  S  S53  1  0.244689  0.791733  0.393567  1
  S  S54  1  0.331214  0.915473  0.391358  1
  S  S55  1  0.083333  0.291978  0.388937  1
  S  S56  1  0.166424  0.417650  0.389567  1
  S  S57  1  0.249073  0.542961  0.389739  1
  S  S58  1  0.332225  0.667245  0.389504  1
  S  S59  1  0.415215  0.791707  0.389455  1
  S  S60  1  0.499340  0.916276  0.389552  1
  S  S61  1  0.083333  0.040481  0.389671  1
  S  S62  1  0.166562  0.166275  0.388852  1
  S  S63  1  0.249813  0.291858  0.388895  1
  S  S64  1  0.332973  0.417184  0.388930  1
  S  S65  1  0.416201  0.542078  0.388592  1
  S  S66  1  0.499626  0.666946  0.388346  1
  S  S67  1  0.583333  0.791723  0.388691  1
  S  S68  1  0.667326  0.916276  0.389552  1
  S  S69  1  0.249247  0.040327  0.389750  1
  S  S70  1  0.333012  0.166205  0.389066  1
  S  S71  1  0.416482  0.291668  0.388965  1
  S  S72  1  0.499873  0.416839  0.388624  1
  S  S73  1  0.583333  0.541905  0.388317  1
  S  S74  1  0.667041  0.666946  0.388346  1
  S  S75  1  0.751451  0.791707  0.389455  1
  S  S76  1  0.835453  0.915473  0.391358  1
  S  S77  1  0.416002  0.040931  0.389698  1
  S  S78  1  0.499859  0.166300  0.389227  1
  S  S79  1  0.583333  0.291596  0.388942  1
  S  S80  1  0.666793  0.416839  0.388624  1
  S  S81  1  0.750465  0.542079  0.388592  1
  S  S82  1  0.834441  0.667247  0.389506  1
  S  S83  1  0.921978  0.791733  0.393567  1
  S  S84  1  0.002529  0.912480  0.393631  1
  S  S85  1  0.583333  0.041163  0.389475  1
  S  S86  1  0.666808  0.166300  0.389227  1
  S  S87  1  0.750185  0.291668  0.388965  1
  S  S88  1  0.833694  0.417184  0.388930  1
  S  S89  1  0.917594  0.542961  0.389740  1
  S  S90  1  0.002830  0.670600  0.393685  1
  S  S91  1  0.750664  0.040930  0.389698  1
  S  S92  1  0.833655  0.166205  0.389066  1
  S  S93  1  0.916854  0.291858  0.388895  1
  S  S94  1  0.000243  0.417650  0.389567  1
  S  S95  1  0.917420  0.040326  0.389750  1
  S  S96  1  0.000104  0.166275  0.388852  1
  S  S97  1  0.083333  0.791584  0.622395  1
  S  S98  1  0.165704  0.916847  0.615528  1
  S  S99  1  0.083333  0.541851  0.612399  1
  S  S100  1  0.167530  0.667293  0.615619  1
  S  S101  1  0.249925  0.790664  0.615469  1
  S  S102  1  0.333308  0.916426  0.612210  1
  S  S103  1  0.083333  0.291681  0.610093  1
  S  S104  1  0.166707  0.416900  0.610688  1
  S  S105  1  0.250212  0.542260  0.611120  1
  S  S106  1  0.333434  0.666759  0.611016  1
  S  S107  1  0.416468  0.791199  0.610823  1
  S  S108  1  0.499966  0.916238  0.610690  1
  S  S109  1  0.083334  0.041517  0.611108  1
  S  S110  1  0.166486  0.166494  0.610049  1
  S  S111  1  0.249833  0.291741  0.610001  1
  S  S112  1  0.333255  0.417083  0.609967  1
  S  S113  1  0.416653  0.542045  0.609867  1
  S  S114  1  0.499982  0.666749  0.609730  1
  S  S115  1  0.583333  0.791356  0.609935  1
  S  S116  1  0.666701  0.916238  0.610690  1
  S  S117  1  0.249413  0.041417  0.611052  1
  S  S118  1  0.332943  0.166469  0.610088  1
  S  S119  1  0.416466  0.291787  0.609867  1
  S  S120  1  0.499947  0.416993  0.609718  1
  S  S121  1  0.583333  0.541999  0.609552  1
  S  S122  1  0.666685  0.666749  0.609730  1
  S  S123  1  0.750199  0.791199  0.610824  1
  S  S124  1  0.833359  0.916426  0.612210  1
  S  S125  1  0.416406  0.041430  0.610737  1
  S  S126  1  0.499834  0.166557  0.610197  1
  S  S127  1  0.583333  0.291797  0.609861  1
  S  S128  1  0.666720  0.416993  0.609718  1
  S  S129  1  0.750014  0.542045  0.609866  1
  S  S130  1  0.833233  0.666759  0.611017  1
  S  S131  1  0.916742  0.790664  0.615469  1
  S  S132  1  0.000963  0.916847  0.615528  1
  S  S133  1  0.583333  0.041375  0.610583  1
  S  S134  1  0.666833  0.166557  0.610197  1
  S  S135  1  0.750200  0.291787  0.609867  1
  S  S136  1  0.833411  0.417083  0.609967  1
  S  S137  1  0.916453  0.542260  0.611119  1
  S  S138  1  -0.000863  0.667294  0.615619  1
  S  S139  1  0.750261  0.041429  0.610736  1
  S  S140  1  0.833724  0.166469  0.610088  1
  S  S141  1  0.916833  0.291741  0.610001  1
  S  S142  1  -0.000041  0.416901  0.610687  1
  S  S143  1  0.917254  0.041417  0.611052  1
  S  S144  1  0.000181  0.166494  0.610048  1
