# 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  -0.000001  0.749046  0.500000  1
  W  W2  1  0.085440  0.876079  0.500001  1
  W  W3  1  -0.000000  0.497617  0.499998  1
  W  W4  1  0.081945  0.621050  0.499999  1
  W  W5  1  0.168363  0.753414  0.500000  1
  W  W6  1  0.251687  0.876012  0.500001  1
  W  W7  1  0.000000  0.249498  0.500001  1
  W  W8  1  0.083520  0.373885  0.499997  1
  W  W9  1  0.167457  0.498494  0.499996  1
  W  W10  1  0.249307  0.625462  0.499997  1
  W  W11  1  0.334558  0.750125  0.499999  1
  W  W12  1  0.417122  0.875580  0.500003  1
  W  W13  1  0.000000  -0.000095  0.500005  1
  W  W14  1  0.083420  0.124943  0.500004  1
  W  W15  1  0.166920  0.249659  0.500000  1
  W  W16  1  0.250381  0.374473  0.499997  1
  W  W17  1  0.333282  0.499996  0.499997  1
  W  W18  1  0.416501  0.625090  0.499998  1
  W  W19  1  0.500000  0.750172  0.500000  1
  W  W20  1  0.582878  0.875580  0.500003  1
  W  W21  1  0.167534  0.001214  0.500003  1
  W  W22  1  0.250465  0.125388  0.500003  1
  W  W23  1  0.333603  0.250096  0.500002  1
  W  W24  1  0.416706  0.375149  0.500000  1
  W  W25  1  0.500000  0.500094  0.499999  1
  W  W26  1  0.583499  0.625090  0.500000  1
  W  W27  1  0.665442  0.750126  0.500002  1
  W  W28  1  0.748313  0.876012  0.500004  1
  W  W29  1  0.333936  0.000674  0.500004  1
  W  W30  1  0.416874  0.125472  0.500004  1
  W  W31  1  0.500000  0.250374  0.500004  1
  W  W32  1  0.583294  0.375149  0.500001  1
  W  W33  1  0.666718  0.499996  0.500000  1
  W  W34  1  0.750693  0.625462  0.500000  1
  W  W35  1  0.831636  0.753415  0.500000  1
  W  W36  1  0.914560  0.876080  0.500002  1
  W  W37  1  0.500000  0.000562  0.500006  1
  W  W38  1  0.583126  0.125472  0.500006  1
  W  W39  1  0.666397  0.250096  0.500004  1
  W  W40  1  0.749619  0.374473  0.500000  1
  W  W41  1  0.832543  0.498494  0.499999  1
  W  W42  1  0.918056  0.621049  0.499999  1
  W  W43  1  0.666064  0.000674  0.500006  1
  W  W44  1  0.749535  0.125387  0.500007  1
  W  W45  1  0.833080  0.249659  0.500002  1
  W  W46  1  0.916480  0.373885  0.499998  1
  W  W47  1  0.832466  0.001214  0.500006  1
  W  W48  1  0.916580  0.124943  0.500005  1
  S  S49  1  0.087913  0.793946  0.389415  1
  S  S50  1  0.168420  0.918281  0.389361  1
  S  S51  1  0.083930  0.538387  0.389054  1
  S  S52  1  0.164432  0.667393  0.391059  1
  S  S53  1  0.252625  0.792738  0.389031  1
  S  S54  1  0.334326  0.917535  0.388891  1
  S  S55  1  0.083480  0.290872  0.389115  1
  S  S56  1  0.167058  0.415431  0.389080  1
  S  S57  1  0.249966  0.541849  0.389369  1
  S  S58  1  0.333053  0.666728  0.389233  1
  S  S59  1  0.417303  0.792098  0.389131  1
  S  S60  1  0.500000  0.917296  0.389045  1
  S  S61  1  0.083397  0.041777  0.389186  1
  S  S62  1  0.166828  0.166533  0.389167  1
  S  S63  1  0.250255  0.291346  0.389120  1
  S  S64  1  0.333414  0.416692  0.389183  1
  S  S65  1  0.416619  0.541715  0.389304  1
  S  S66  1  0.500000  0.666658  0.389307  1
  S  S67  1  0.582696  0.792098  0.389130  1
  S  S68  1  0.665674  0.917536  0.388890  1
  S  S69  1  0.250762  0.042404  0.388994  1
  S  S70  1  0.333659  0.166988  0.389077  1
  S  S71  1  0.416744  0.291926  0.389144  1
  S  S72  1  0.500000  0.416812  0.389214  1
  S  S73  1  0.583381  0.541715  0.389303  1
  S  S74  1  0.666947  0.666728  0.389232  1
  S  S75  1  0.747374  0.792739  0.389029  1
  S  S76  1  0.831580  0.918281  0.389360  1
  S  S77  1  0.416972  0.042290  0.389075  1
  S  S78  1  0.500000  0.167168  0.389120  1
  S  S79  1  0.583256  0.291926  0.389143  1
  S  S80  1  0.666586  0.416692  0.389181  1
  S  S81  1  0.750034  0.541849  0.389368  1
  S  S82  1  0.835569  0.667393  0.391059  1
  S  S83  1  0.912087  0.793947  0.389414  1
  S  S84  1  0.000000  0.916209  0.389920  1
  S  S85  1  0.583028  0.042290  0.389074  1
  S  S86  1  0.666341  0.166988  0.389076  1
  S  S87  1  0.749745  0.291345  0.389118  1
  S  S88  1  0.832943  0.415431  0.389079  1
  S  S89  1  0.916070  0.538387  0.389053  1
  S  S90  1  -0.000000  0.659827  0.388578  1
  S  S91  1  0.749238  0.042404  0.388993  1
  S  S92  1  0.833173  0.166533  0.389166  1
  S  S93  1  0.916520  0.290872  0.389114  1
  S  S94  1  0.000000  0.414908  0.388927  1
  S  S95  1  0.916603  0.041777  0.389186  1
  S  S96  1  0.000000  0.166388  0.389167  1
  S  S97  1  0.087913  0.793946  0.610585  1
  S  S98  1  0.168420  0.918281  0.610636  1
  S  S99  1  0.083930  0.538387  0.610949  1
  S  S100  1  0.164431  0.667393  0.608943  1
  S  S101  1  0.252625  0.792739  0.610969  1
  S  S102  1  0.334325  0.917537  0.611105  1
  S  S103  1  0.083480  0.290872  0.610886  1
  S  S104  1  0.167058  0.415431  0.610923  1
  S  S105  1  0.249966  0.541848  0.610633  1
  S  S106  1  0.333053  0.666728  0.610768  1
  S  S107  1  0.417303  0.792098  0.610870  1
  S  S108  1  0.500000  0.917296  0.610951  1
  S  S109  1  0.083397  0.041777  0.610810  1
  S  S110  1  0.166827  0.166533  0.610831  1
  S  S111  1  0.250255  0.291345  0.610881  1
  S  S112  1  0.333414  0.416692  0.610819  1
  S  S113  1  0.416619  0.541715  0.610697  1
  S  S114  1  0.500000  0.666657  0.610694  1
  S  S115  1  0.582697  0.792098  0.610869  1
  S  S116  1  0.665674  0.917537  0.611104  1
  S  S117  1  0.250762  0.042404  0.611002  1
  S  S118  1  0.333659  0.166987  0.610920  1
  S  S119  1  0.416745  0.291926  0.610855  1
  S  S120  1  0.500000  0.416811  0.610786  1
  S  S121  1  0.583381  0.541715  0.610697  1
  S  S122  1  0.666947  0.666728  0.610767  1
  S  S123  1  0.747374  0.792739  0.610968  1
  S  S124  1  0.831580  0.918282  0.610636  1
  S  S125  1  0.416972  0.042289  0.610921  1
  S  S126  1  0.500000  0.167168  0.610875  1
  S  S127  1  0.583255  0.291926  0.610855  1
  S  S128  1  0.666586  0.416692  0.610818  1
  S  S129  1  0.750034  0.541849  0.610632  1
  S  S130  1  0.835569  0.667394  0.608941  1
  S  S131  1  0.912086  0.793947  0.610585  1
  S  S132  1  -0.000000  0.916210  0.610077  1
  S  S133  1  0.583028  0.042290  0.610921  1
  S  S134  1  0.666341  0.166987  0.610919  1
  S  S135  1  0.749745  0.291345  0.610880  1
  S  S136  1  0.832942  0.415431  0.610922  1
  S  S137  1  0.916069  0.538387  0.610949  1
  S  S138  1  -0.000000  0.659828  0.611422  1
  S  S139  1  0.749238  0.042404  0.611000  1
  S  S140  1  0.833173  0.166533  0.610830  1
  S  S141  1  0.916520  0.290872  0.610885  1
  S  S142  1  -0.000000  0.414907  0.611077  1
  S  S143  1  0.916603  0.041777  0.610809  1
  S  S144  1  -0.000000  0.166387  0.610830  1
