# 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  0.000031  0.749481  0.500000  1
  W  W2  1  0.084973  0.876242  0.500000  1
  W  W3  1  -0.000003  0.497013  0.500000  1
  W  W4  1  0.081923  0.620792  0.500000  1
  W  W5  1  0.168832  0.753736  0.500000  1
  W  W6  1  0.252051  0.876216  0.500000  1
  W  W7  1  -0.000001  0.248949  0.500000  1
  W  W8  1  0.083483  0.373381  0.500000  1
  W  W9  1  0.167168  0.498147  0.500000  1
  W  W10  1  0.249184  0.625575  0.500000  1
  W  W11  1  0.334705  0.750640  0.500000  1
  W  W12  1  0.417266  0.875968  0.500000  1
  W  W13  1  -0.000006  -0.000376  0.500000  1
  W  W14  1  0.083499  0.124562  0.500000  1
  W  W15  1  0.166945  0.249312  0.500000  1
  W  W16  1  0.250284  0.374263  0.500000  1
  W  W17  1  0.333108  0.500150  0.500000  1
  W  W18  1  0.416440  0.625370  0.500000  1
  W  W19  1  0.500005  0.750577  0.500000  1
  W  W20  1  0.582745  0.875965  0.500000  1
  W  W21  1  0.167931  0.000922  0.500000  1
  W  W22  1  0.250605  0.125240  0.500000  1
  W  W23  1  0.333607  0.250073  0.499999  1
  W  W24  1  0.416670  0.375270  0.500000  1
  W  W25  1  0.499997  0.500300  0.500000  1
  W  W26  1  0.583544  0.625366  0.500000  1
  W  W27  1  0.665304  0.750639  0.500000  1
  W  W28  1  0.747967  0.876208  0.500000  1
  W  W29  1  0.334159  0.000904  0.500000  1
  W  W30  1  0.416957  0.125660  0.500000  1
  W  W31  1  0.500000  0.250504  0.500000  1
  W  W32  1  0.583329  0.375268  0.500000  1
  W  W33  1  0.666880  0.500147  0.500000  1
  W  W34  1  0.750783  0.625570  0.500000  1
  W  W35  1  0.831209  0.753669  0.500000  1
  W  W36  1  0.915027  0.876212  0.500000  1
  W  W37  1  0.500002  0.000880  0.500000  1
  W  W38  1  0.583044  0.125658  0.500000  1
  W  W39  1  0.666394  0.250075  0.500000  1
  W  W40  1  0.749719  0.374267  0.500000  1
  W  W41  1  0.832831  0.498155  0.500000  1
  W  W42  1  0.917991  0.620843  0.500000  1
  W  W43  1  0.665846  0.000896  0.500000  1
  W  W44  1  0.749395  0.125239  0.500000  1
  W  W45  1  0.833054  0.249312  0.500000  1
  W  W46  1  0.916512  0.373383  0.500000  1
  W  W47  1  0.832070  0.000918  0.500000  1
  W  W48  1  0.916499  0.124562  0.500000  1
  S  S49  1  0.088125  0.793916  0.390107  1
  S  S50  1  0.168381  0.918030  0.389419  1
  S  S51  1  0.083741  0.538120  0.388968  1
  S  S52  1  0.164282  0.667731  0.391356  1
  S  S53  1  0.252881  0.793099  0.388808  1
  S  S54  1  0.334508  0.917827  0.388883  1
  S  S55  1  0.083442  0.290401  0.389152  1
  S  S56  1  0.166931  0.415171  0.389137  1
  S  S57  1  0.249644  0.541938  0.389516  1
  S  S58  1  0.332887  0.666996  0.389408  1
  S  S59  1  0.417381  0.792461  0.389115  1
  S  S60  1  0.500005  0.917652  0.389000  1
  S  S61  1  0.083520  0.041378  0.389356  1
  S  S62  1  0.166885  0.166201  0.389220  1
  S  S63  1  0.250192  0.291170  0.389150  1
  S  S64  1  0.333264  0.416780  0.389322  1
  S  S65  1  0.416508  0.541951  0.389450  1
  S  S66  1  0.499994  0.666966  0.389432  1
  S  S67  1  0.582635  0.792460  0.389113  1
  S  S68  1  0.665505  0.917817  0.388882  1
  S  S69  1  0.250865  0.042287  0.388970  1
  S  S70  1  0.333679  0.166997  0.389099  1
  S  S71  1  0.416714  0.292051  0.389215  1
  S  S72  1  0.500000  0.417005  0.389313  1
  S  S73  1  0.583484  0.541950  0.389447  1
  S  S74  1  0.667088  0.666995  0.389413  1
  S  S75  1  0.747163  0.793076  0.388826  1
  S  S76  1  0.831628  0.918023  0.389419  1
  S  S77  1  0.417053  0.042543  0.389040  1
  S  S78  1  0.500001  0.167370  0.389109  1
  S  S79  1  0.583287  0.292050  0.389214  1
  S  S80  1  0.666734  0.416777  0.389322  1
  S  S81  1  0.750341  0.541932  0.389517  1
  S  S82  1  0.835651  0.667707  0.391307  1
  S  S83  1  0.911937  0.793889  0.390133  1
  S  S84  1  0.000003  0.916131  0.389696  1
  S  S85  1  0.582951  0.042541  0.389041  1
  S  S86  1  0.666321  0.166997  0.389101  1
  S  S87  1  0.749810  0.291173  0.389151  1
  S  S88  1  0.833071  0.415180  0.389135  1
  S  S89  1  0.916251  0.538155  0.388987  1
  S  S90  1  0.000006  0.659580  0.389176  1
  S  S91  1  0.749136  0.042283  0.388971  1
  S  S92  1  0.833113  0.166201  0.389221  1
  S  S93  1  0.916557  0.290401  0.389152  1
  S  S94  1  -0.000004  0.414385  0.388922  1
  S  S95  1  0.916473  0.041380  0.389352  1
  S  S96  1  -0.000001  0.165844  0.389217  1
  S  S97  1  0.088125  0.793916  0.609893  1
  S  S98  1  0.168381  0.918030  0.610580  1
  S  S99  1  0.083741  0.538120  0.611032  1
  S  S100  1  0.164282  0.667731  0.608644  1
  S  S101  1  0.252881  0.793099  0.611192  1
  S  S102  1  0.334508  0.917827  0.611117  1
  S  S103  1  0.083441  0.290401  0.610848  1
  S  S104  1  0.166931  0.415171  0.610863  1
  S  S105  1  0.249644  0.541938  0.610484  1
  S  S106  1  0.332887  0.666996  0.610591  1
  S  S107  1  0.417381  0.792461  0.610885  1
  S  S108  1  0.500005  0.917652  0.611000  1
  S  S109  1  0.083520  0.041379  0.610643  1
  S  S110  1  0.166885  0.166200  0.610780  1
  S  S111  1  0.250192  0.291170  0.610850  1
  S  S112  1  0.333264  0.416780  0.610678  1
  S  S113  1  0.416508  0.541951  0.610550  1
  S  S114  1  0.499994  0.666966  0.610568  1
  S  S115  1  0.582635  0.792460  0.610887  1
  S  S116  1  0.665505  0.917817  0.611118  1
  S  S117  1  0.250865  0.042287  0.611030  1
  S  S118  1  0.333679  0.166997  0.610899  1
  S  S119  1  0.416714  0.292051  0.610785  1
  S  S120  1  0.500000  0.417005  0.610687  1
  S  S121  1  0.583484  0.541950  0.610553  1
  S  S122  1  0.667088  0.666995  0.610587  1
  S  S123  1  0.747163  0.793076  0.611174  1
  S  S124  1  0.831628  0.918023  0.610581  1
  S  S125  1  0.417052  0.042543  0.610959  1
  S  S126  1  0.500001  0.167370  0.610891  1
  S  S127  1  0.583287  0.292050  0.610786  1
  S  S128  1  0.666734  0.416777  0.610678  1
  S  S129  1  0.750341  0.541932  0.610483  1
  S  S130  1  0.835651  0.667707  0.608693  1
  S  S131  1  0.911937  0.793889  0.609867  1
  S  S132  1  0.000003  0.916131  0.610304  1
  S  S133  1  0.582951  0.042541  0.610959  1
  S  S134  1  0.666321  0.166997  0.610899  1
  S  S135  1  0.749810  0.291173  0.610849  1
  S  S136  1  0.833071  0.415180  0.610865  1
  S  S137  1  0.916251  0.538155  0.611013  1
  S  S138  1  0.000006  0.659580  0.610824  1
  S  S139  1  0.749136  0.042283  0.611029  1
  S  S140  1  0.833113  0.166201  0.610779  1
  S  S141  1  0.916557  0.290401  0.610848  1
  S  S142  1  -0.000004  0.414385  0.611079  1
  S  S143  1  0.916473  0.041380  0.610648  1
  S  S144  1  -0.000001  0.165844  0.610783  1
