# generated using pymatgen
data_LiW47S96
_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   LiW47S96
_chemical_formula_sum   'Li1 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
  Li  Li1  1  0.000000  0.750013  0.500000  1
  W  W2  1  0.087065  0.875661  0.500000  1
  W  W3  1  -0.000000  0.497671  0.500000  1
  W  W4  1  0.082046  0.621778  0.500000  1
  W  W5  1  0.169045  0.752571  0.500000  1
  W  W6  1  0.252004  0.876179  0.500000  1
  W  W7  1  0.000000  0.249297  0.500000  1
  W  W8  1  0.083460  0.373809  0.500000  1
  W  W9  1  0.167277  0.498489  0.500000  1
  W  W10  1  0.249448  0.625244  0.499999  1
  W  W11  1  0.334735  0.750304  0.500000  1
  W  W12  1  0.417261  0.875603  0.500000  1
  W  W13  1  0.000000  -0.000574  0.500000  1
  W  W14  1  0.083429  0.124655  0.500000  1
  W  W15  1  0.166865  0.249518  0.500000  1
  W  W16  1  0.250296  0.374389  0.500000  1
  W  W17  1  0.333243  0.499999  0.500000  1
  W  W18  1  0.416574  0.625102  0.500000  1
  W  W19  1  0.500000  0.750218  0.500000  1
  W  W20  1  0.582739  0.875603  0.500000  1
  W  W21  1  0.167772  0.001143  0.500000  1
  W  W22  1  0.250502  0.125388  0.500000  1
  W  W23  1  0.333606  0.250060  0.500000  1
  W  W24  1  0.416731  0.375112  0.500000  1
  W  W25  1  0.500000  0.500082  0.500001  1
  W  W26  1  0.583426  0.625102  0.500000  1
  W  W27  1  0.665265  0.750304  0.500000  1
  W  W28  1  0.747996  0.876179  0.499999  1
  W  W29  1  0.334149  0.000742  0.500000  1
  W  W30  1  0.416909  0.125480  0.500000  1
  W  W31  1  0.500000  0.250319  0.500000  1
  W  W32  1  0.583269  0.375112  0.500000  1
  W  W33  1  0.666757  0.499999  0.500000  1
  W  W34  1  0.750552  0.625244  0.500000  1
  W  W35  1  0.830955  0.752571  0.500000  1
  W  W36  1  0.912935  0.875661  0.500000  1
  W  W37  1  0.500000  0.000609  0.499999  1
  W  W38  1  0.583091  0.125480  0.500000  1
  W  W39  1  0.666394  0.250060  0.500000  1
  W  W40  1  0.749704  0.374389  0.500000  1
  W  W41  1  0.832723  0.498489  0.500000  1
  W  W42  1  0.917954  0.621778  0.500000  1
  W  W43  1  0.665851  0.000742  0.499999  1
  W  W44  1  0.749498  0.125388  0.500000  1
  W  W45  1  0.833135  0.249518  0.500000  1
  W  W46  1  0.916540  0.373809  0.500000  1
  W  W47  1  0.832228  0.001143  0.500000  1
  W  W48  1  0.916571  0.124656  0.500000  1
  S  S49  1  0.088739  0.794453  0.389357  1
  S  S50  1  0.169087  0.918422  0.389073  1
  S  S51  1  0.083792  0.538825  0.389149  1
  S  S52  1  0.165055  0.667462  0.390808  1
  S  S53  1  0.252731  0.792762  0.389092  1
  S  S54  1  0.334589  0.917604  0.388871  1
  S  S55  1  0.083420  0.290763  0.389138  1
  S  S56  1  0.166956  0.415448  0.389128  1
  S  S57  1  0.249866  0.541727  0.389354  1
  S  S58  1  0.333107  0.666726  0.389342  1
  S  S59  1  0.417379  0.792126  0.389047  1
  S  S60  1  0.500000  0.917327  0.389003  1
  S  S61  1  0.083311  0.041383  0.389276  1
  S  S62  1  0.166770  0.166390  0.389177  1
  S  S63  1  0.250203  0.291260  0.389156  1
  S  S64  1  0.333377  0.416634  0.389262  1
  S  S65  1  0.416608  0.541723  0.389324  1
  S  S66  1  0.500000  0.666689  0.389280  1
  S  S67  1  0.582621  0.792126  0.389047  1
  S  S68  1  0.665411  0.917604  0.388871  1
  S  S69  1  0.250908  0.042432  0.389034  1
  S  S70  1  0.333666  0.166978  0.389084  1
  S  S71  1  0.416762  0.291891  0.389166  1
  S  S72  1  0.500000  0.416819  0.389217  1
  S  S73  1  0.583392  0.541723  0.389324  1
  S  S74  1  0.666893  0.666726  0.389342  1
  S  S75  1  0.747269  0.792761  0.389091  1
  S  S76  1  0.830913  0.918422  0.389073  1
  S  S77  1  0.417065  0.042343  0.389016  1
  S  S78  1  0.500000  0.167150  0.389103  1
  S  S79  1  0.583238  0.291891  0.389166  1
  S  S80  1  0.666623  0.416634  0.389262  1
  S  S81  1  0.750134  0.541727  0.389354  1
  S  S82  1  0.834945  0.667462  0.390808  1
  S  S83  1  0.911261  0.794453  0.389357  1
  S  S84  1  -0.000000  0.915091  0.390746  1
  S  S85  1  0.582935  0.042343  0.389017  1
  S  S86  1  0.666334  0.166978  0.389084  1
  S  S87  1  0.749797  0.291260  0.389156  1
  S  S88  1  0.833044  0.415448  0.389128  1
  S  S89  1  0.916208  0.538825  0.389149  1
  S  S90  1  -0.000000  0.661113  0.389434  1
  S  S91  1  0.749092  0.042432  0.389035  1
  S  S92  1  0.833230  0.166390  0.389177  1
  S  S93  1  0.916580  0.290763  0.389138  1
  S  S94  1  -0.000000  0.414946  0.388956  1
  S  S95  1  0.916689  0.041383  0.389277  1
  S  S96  1  -0.000000  0.166134  0.389229  1
  S  S97  1  0.088739  0.794453  0.610643  1
  S  S98  1  0.169087  0.918422  0.610927  1
  S  S99  1  0.083792  0.538825  0.610851  1
  S  S100  1  0.165055  0.667462  0.609192  1
  S  S101  1  0.252730  0.792762  0.610908  1
  S  S102  1  0.334589  0.917605  0.611130  1
  S  S103  1  0.083420  0.290763  0.610862  1
  S  S104  1  0.166956  0.415448  0.610872  1
  S  S105  1  0.249866  0.541727  0.610646  1
  S  S106  1  0.333107  0.666725  0.610658  1
  S  S107  1  0.417379  0.792126  0.610954  1
  S  S108  1  0.500000  0.917328  0.610999  1
  S  S109  1  0.083311  0.041383  0.610724  1
  S  S110  1  0.166770  0.166390  0.610823  1
  S  S111  1  0.250203  0.291260  0.610844  1
  S  S112  1  0.333377  0.416634  0.610737  1
  S  S113  1  0.416608  0.541723  0.610676  1
  S  S114  1  0.500000  0.666689  0.610720  1
  S  S115  1  0.582621  0.792126  0.610954  1
  S  S116  1  0.665411  0.917605  0.611130  1
  S  S117  1  0.250908  0.042432  0.610966  1
  S  S118  1  0.333666  0.166978  0.610916  1
  S  S119  1  0.416762  0.291891  0.610833  1
  S  S120  1  0.500000  0.416819  0.610783  1
  S  S121  1  0.583392  0.541723  0.610676  1
  S  S122  1  0.666893  0.666725  0.610658  1
  S  S123  1  0.747270  0.792762  0.610908  1
  S  S124  1  0.830913  0.918422  0.610927  1
  S  S125  1  0.417065  0.042344  0.610984  1
  S  S126  1  0.500000  0.167150  0.610897  1
  S  S127  1  0.583238  0.291891  0.610834  1
  S  S128  1  0.666623  0.416634  0.610738  1
  S  S129  1  0.750134  0.541727  0.610646  1
  S  S130  1  0.834945  0.667462  0.609192  1
  S  S131  1  0.911261  0.794453  0.610643  1
  S  S132  1  0.000000  0.915091  0.609254  1
  S  S133  1  0.582935  0.042343  0.610984  1
  S  S134  1  0.666334  0.166978  0.610916  1
  S  S135  1  0.749797  0.291260  0.610844  1
  S  S136  1  0.833044  0.415448  0.610872  1
  S  S137  1  0.916208  0.538825  0.610851  1
  S  S138  1  -0.000000  0.661113  0.610566  1
  S  S139  1  0.749092  0.042432  0.610966  1
  S  S140  1  0.833230  0.166390  0.610823  1
  S  S141  1  0.916580  0.290763  0.610862  1
  S  S142  1  0.000000  0.414946  0.611043  1
  S  S143  1  0.916689  0.041383  0.610724  1
  S  S144  1  0.000000  0.166134  0.610771  1
