# 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  0.750015  0.500000  1
  W  W2  1  0.087106  0.875979  0.500001  1
  W  W3  1  -0.000000  0.497141  0.499999  1
  W  W4  1  0.082322  0.621520  0.500000  1
  W  W5  1  0.169385  0.752486  0.500001  1
  W  W6  1  0.252348  0.876441  0.500001  1
  W  W7  1  -0.000000  0.248772  0.499999  1
  W  W8  1  0.083429  0.373277  0.499999  1
  W  W9  1  0.166882  0.498107  0.500000  1
  W  W10  1  0.249278  0.625384  0.500001  1
  W  W11  1  0.334807  0.750857  0.500001  1
  W  W12  1  0.417410  0.875997  0.500001  1
  W  W13  1  0.000000  -0.000861  0.500000  1
  W  W14  1  0.083504  0.124301  0.500000  1
  W  W15  1  0.166907  0.249172  0.499999  1
  W  W16  1  0.250182  0.374188  0.499999  1
  W  W17  1  0.333122  0.500080  0.500000  1
  W  W18  1  0.416515  0.625404  0.500001  1
  W  W19  1  0.500000  0.750709  0.500001  1
  W  W20  1  0.582590  0.875997  0.500000  1
  W  W21  1  0.168276  0.000935  0.500001  1
  W  W22  1  0.250715  0.125273  0.500000  1
  W  W23  1  0.333645  0.250049  0.500000  1
  W  W24  1  0.416690  0.375198  0.500000  1
  W  W25  1  0.500000  0.500310  0.500000  1
  W  W26  1  0.583485  0.625404  0.500001  1
  W  W27  1  0.665193  0.750857  0.500001  1
  W  W28  1  0.747652  0.876441  0.500000  1
  W  W29  1  0.334384  0.000971  0.500001  1
  W  W30  1  0.416990  0.125668  0.500000  1
  W  W31  1  0.500000  0.250458  0.499999  1
  W  W32  1  0.583310  0.375198  0.500000  1
  W  W33  1  0.666877  0.500080  0.500000  1
  W  W34  1  0.750722  0.625384  0.500000  1
  W  W35  1  0.830615  0.752486  0.500000  1
  W  W36  1  0.912894  0.875979  0.500000  1
  W  W37  1  0.500000  0.000940  0.500000  1
  W  W38  1  0.583010  0.125668  0.499999  1
  W  W39  1  0.666355  0.250049  0.499999  1
  W  W40  1  0.749818  0.374188  0.499999  1
  W  W41  1  0.833119  0.498107  0.500000  1
  W  W42  1  0.917678  0.621520  0.500000  1
  W  W43  1  0.665616  0.000971  0.500000  1
  W  W44  1  0.749285  0.125273  0.499999  1
  W  W45  1  0.833093  0.249172  0.499999  1
  W  W46  1  0.916571  0.373277  0.499999  1
  W  W47  1  0.831724  0.000935  0.500000  1
  W  W48  1  0.916496  0.124301  0.499999  1
  S  S49  1  0.088862  0.794527  0.390258  1
  S  S50  1  0.169292  0.918327  0.388923  1
  S  S51  1  0.083602  0.538602  0.389048  1
  S  S52  1  0.164957  0.667528  0.390888  1
  S  S53  1  0.252759  0.793039  0.388952  1
  S  S54  1  0.334776  0.917869  0.388797  1
  S  S55  1  0.083405  0.290286  0.389131  1
  S  S56  1  0.166793  0.415170  0.389123  1
  S  S57  1  0.249596  0.541745  0.389531  1
  S  S58  1  0.332970  0.667019  0.389465  1
  S  S59  1  0.417394  0.792516  0.388976  1
  S  S60  1  0.500000  0.917714  0.388915  1
  S  S61  1  0.083444  0.041020  0.389384  1
  S  S62  1  0.166850  0.166057  0.389225  1
  S  S63  1  0.250166  0.291097  0.389172  1
  S  S64  1  0.333236  0.416687  0.389366  1
  S  S65  1  0.416503  0.541966  0.389453  1
  S  S66  1  0.500000  0.667061  0.389413  1
  S  S67  1  0.582606  0.792516  0.388976  1
  S  S68  1  0.665224  0.917869  0.388797  1
  S  S69  1  0.251088  0.042383  0.388948  1
  S  S70  1  0.333738  0.167012  0.389069  1
  S  S71  1  0.416744  0.292002  0.389192  1
  S  S72  1  0.500000  0.417001  0.389321  1
  S  S73  1  0.583497  0.541966  0.389453  1
  S  S74  1  0.667030  0.667019  0.389465  1
  S  S75  1  0.747241  0.793040  0.388953  1
  S  S76  1  0.830708  0.918327  0.388923  1
  S  S77  1  0.417141  0.042599  0.388935  1
  S  S78  1  0.500000  0.167354  0.389083  1
  S  S79  1  0.583256  0.292002  0.389192  1
  S  S80  1  0.666764  0.416687  0.389366  1
  S  S81  1  0.750404  0.541745  0.389531  1
  S  S82  1  0.835043  0.667528  0.390888  1
  S  S83  1  0.911138  0.794527  0.390258  1
  S  S84  1  -0.000000  0.914961  0.390785  1
  S  S85  1  0.582859  0.042599  0.388935  1
  S  S86  1  0.666262  0.167012  0.389070  1
  S  S87  1  0.749834  0.291097  0.389172  1
  S  S88  1  0.833207  0.415170  0.389123  1
  S  S89  1  0.916398  0.538602  0.389048  1
  S  S90  1  0.000000  0.660901  0.390361  1
  S  S91  1  0.748912  0.042383  0.388948  1
  S  S92  1  0.833150  0.166057  0.389225  1
  S  S93  1  0.916595  0.290286  0.389131  1
  S  S94  1  -0.000000  0.414448  0.388951  1
  S  S95  1  0.916556  0.041020  0.389384  1
  S  S96  1  -0.000000  0.165638  0.389258  1
  S  S97  1  0.088862  0.794527  0.609741  1
  S  S98  1  0.169292  0.918327  0.611076  1
  S  S99  1  0.083602  0.538602  0.610952  1
  S  S100  1  0.164957  0.667528  0.609111  1
  S  S101  1  0.252759  0.793040  0.611047  1
  S  S102  1  0.334776  0.917869  0.611202  1
  S  S103  1  0.083405  0.290286  0.610870  1
  S  S104  1  0.166793  0.415171  0.610877  1
  S  S105  1  0.249596  0.541746  0.610469  1
  S  S106  1  0.332970  0.667019  0.610534  1
  S  S107  1  0.417394  0.792516  0.611023  1
  S  S108  1  0.500000  0.917714  0.611085  1
  S  S109  1  0.083444  0.041020  0.610616  1
  S  S110  1  0.166850  0.166057  0.610775  1
  S  S111  1  0.250166  0.291097  0.610828  1
  S  S112  1  0.333236  0.416687  0.610634  1
  S  S113  1  0.416503  0.541966  0.610546  1
  S  S114  1  0.500000  0.667061  0.610586  1
  S  S115  1  0.582606  0.792516  0.611023  1
  S  S116  1  0.665224  0.917869  0.611202  1
  S  S117  1  0.251088  0.042383  0.611052  1
  S  S118  1  0.333738  0.167011  0.610931  1
  S  S119  1  0.416744  0.292002  0.610808  1
  S  S120  1  0.500000  0.417001  0.610679  1
  S  S121  1  0.583497  0.541966  0.610546  1
  S  S122  1  0.667030  0.667019  0.610534  1
  S  S123  1  0.747241  0.793039  0.611047  1
  S  S124  1  0.830708  0.918327  0.611077  1
  S  S125  1  0.417141  0.042599  0.611065  1
  S  S126  1  0.500000  0.167354  0.610917  1
  S  S127  1  0.583256  0.292002  0.610808  1
  S  S128  1  0.666764  0.416687  0.610634  1
  S  S129  1  0.750404  0.541746  0.610469  1
  S  S130  1  0.835043  0.667528  0.609111  1
  S  S131  1  0.911138  0.794527  0.609742  1
  S  S132  1  0.000000  0.914961  0.609215  1
  S  S133  1  0.582859  0.042599  0.611065  1
  S  S134  1  0.666262  0.167012  0.610931  1
  S  S135  1  0.749834  0.291097  0.610829  1
  S  S136  1  0.833207  0.415171  0.610877  1
  S  S137  1  0.916398  0.538602  0.610952  1
  S  S138  1  0.000000  0.660901  0.609639  1
  S  S139  1  0.748912  0.042383  0.611052  1
  S  S140  1  0.833150  0.166057  0.610776  1
  S  S141  1  0.916595  0.290286  0.610870  1
  S  S142  1  0.000000  0.414448  0.611050  1
  S  S143  1  0.916556  0.041020  0.610616  1
  S  S144  1  0.000000  0.165638  0.610743  1
