# generated using pymatgen
data_LiW48S95
_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   LiW48S95
_chemical_formula_sum   'Li1 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
  Li  Li1  1  0.083333  0.791728  0.332275  1
  W  W2  1  0.003104  0.751619  0.509227  1
  W  W3  1  0.083333  0.871917  0.509205  1
  W  W4  1  0.000045  0.500836  0.500613  1
  W  W5  1  0.083333  0.626989  0.504503  1
  W  W6  1  0.163563  0.751619  0.509227  1
  W  W7  1  0.248183  0.874061  0.504261  1
  W  W8  1  0.000054  0.250122  0.498985  1
  W  W9  1  0.083333  0.375519  0.499548  1
  W  W10  1  0.166621  0.500836  0.500614  1
  W  W11  1  0.249376  0.626054  0.501006  1
  W  W12  1  0.332125  0.749980  0.500764  1
  W  W13  1  0.416109  0.874570  0.500300  1
  W  W14  1  0.000647  -0.000941  0.500979  1
  W  W15  1  0.083333  0.124830  0.499253  1
  W  W16  1  0.166612  0.250122  0.498985  1
  W  W17  1  0.249881  0.375359  0.499264  1
  W  W18  1  0.333076  0.500510  0.499201  1
  W  W19  1  0.416449  0.625130  0.498905  1
  W  W20  1  0.499652  0.749858  0.498772  1
  W  W21  1  0.583333  0.874696  0.499326  1
  W  W22  1  0.166020  -0.000941  0.500979  1
  W  W23  1  0.249669  0.124633  0.499275  1
  W  W24  1  0.333163  0.249967  0.499090  1
  W  W25  1  0.416542  0.375131  0.498978  1
  W  W26  1  0.499918  0.500090  0.498556  1
  W  W27  1  0.583333  0.625017  0.498277  1
  W  W28  1  0.667014  0.749858  0.498772  1
  W  W29  1  0.750557  0.874570  0.500300  1
  W  W30  1  0.332722  -0.000445  0.500494  1
  W  W31  1  0.416441  0.124711  0.499479  1
  W  W32  1  0.499914  0.249867  0.499222  1
  W  W33  1  0.583333  0.374996  0.498890  1
  W  W34  1  0.666749  0.500090  0.498556  1
  W  W35  1  0.750218  0.625130  0.498905  1
  W  W36  1  0.834541  0.749980  0.500764  1
  W  W37  1  0.918484  0.874061  0.504261  1
  W  W38  1  0.499770  -0.000393  0.499818  1
  W  W39  1  0.583333  0.124720  0.499564  1
  W  W40  1  0.666753  0.249867  0.499222  1
  W  W41  1  0.750124  0.375131  0.498978  1
  W  W42  1  0.833591  0.500510  0.499201  1
  W  W43  1  0.917291  0.626054  0.501006  1
  W  W44  1  0.666897  -0.000393  0.499818  1
  W  W45  1  0.750226  0.124711  0.499479  1
  W  W46  1  0.833503  0.249967  0.499090  1
  W  W47  1  0.916786  0.375359  0.499264  1
  W  W48  1  0.833945  -0.000445  0.500494  1
  W  W49  1  0.916997  0.124633  0.499275  1
  S  S50  1  0.164092  0.912523  0.393730  1
  S  S51  1  0.083333  0.544035  0.391539  1
  S  S52  1  0.163752  0.670740  0.393828  1
  S  S53  1  0.244531  0.791838  0.393677  1
  S  S54  1  0.331205  0.915527  0.391289  1
  S  S55  1  0.083333  0.292154  0.388490  1
  S  S56  1  0.166481  0.417706  0.389142  1
  S  S57  1  0.249158  0.542948  0.389515  1
  S  S58  1  0.332240  0.667172  0.389360  1
  S  S59  1  0.415190  0.791628  0.389175  1
  S  S60  1  0.499365  0.916287  0.389140  1
  S  S61  1  0.083333  0.040698  0.389570  1
  S  S62  1  0.166584  0.166484  0.388366  1
  S  S63  1  0.249935  0.291916  0.388383  1
  S  S64  1  0.333067  0.417077  0.388451  1
  S  S65  1  0.416273  0.541857  0.388032  1
  S  S66  1  0.499636  0.666728  0.387759  1
  S  S67  1  0.583333  0.791607  0.388219  1
  S  S68  1  0.667302  0.916287  0.389140  1
  S  S69  1  0.249253  0.040484  0.389498  1
  S  S70  1  0.333118  0.166316  0.388602  1
  S  S71  1  0.416573  0.291592  0.388426  1
  S  S72  1  0.499898  0.416580  0.388067  1
  S  S73  1  0.583334  0.541624  0.387646  1
  S  S74  1  0.667031  0.666728  0.387759  1
  S  S75  1  0.751476  0.791627  0.389175  1
  S  S76  1  0.835462  0.915527  0.391289  1
  S  S77  1  0.416082  0.041016  0.389289  1
  S  S78  1  0.499919  0.166303  0.388754  1
  S  S79  1  0.583333  0.291440  0.388442  1
  S  S80  1  0.666768  0.416580  0.388067  1
  S  S81  1  0.750394  0.541857  0.388032  1
  S  S82  1  0.834427  0.667172  0.389360  1
  S  S83  1  0.922135  0.791838  0.393677  1
  S  S84  1  0.002575  0.912523  0.393730  1
  S  S85  1  0.583333  0.041193  0.389128  1
  S  S86  1  0.666747  0.166303  0.388754  1
  S  S87  1  0.750094  0.291592  0.388426  1
  S  S88  1  0.833600  0.417077  0.388451  1
  S  S89  1  0.917509  0.542948  0.389515  1
  S  S90  1  0.002915  0.670740  0.393828  1
  S  S91  1  0.750585  0.041016  0.389289  1
  S  S92  1  0.833548  0.166316  0.388602  1
  S  S93  1  0.916732  0.291916  0.388383  1
  S  S94  1  0.000185  0.417706  0.389142  1
  S  S95  1  0.917414  0.040484  0.389498  1
  S  S96  1  0.000082  0.166484  0.388366  1
  S  S97  1  0.083333  0.791723  0.622859  1
  S  S98  1  0.165860  0.917227  0.615683  1
  S  S99  1  0.083333  0.541729  0.612317  1
  S  S100  1  0.167695  0.667145  0.615816  1
  S  S101  1  0.250253  0.790752  0.615605  1
  S  S102  1  0.333529  0.916589  0.612016  1
  S  S103  1  0.083333  0.291813  0.609790  1
  S  S104  1  0.166759  0.416874  0.610468  1
  S  S105  1  0.250361  0.542109  0.610911  1
  S  S106  1  0.333749  0.666571  0.610740  1
  S  S107  1  0.416699  0.791130  0.610506  1
  S  S108  1  0.500059  0.916234  0.610446  1
  S  S109  1  0.083333  0.041957  0.610904  1
  S  S110  1  0.166562  0.166770  0.609798  1
  S  S111  1  0.249928  0.291799  0.609781  1
  S  S112  1  0.333353  0.416976  0.609782  1
  S  S113  1  0.416815  0.541807  0.609583  1
  S  S114  1  0.500104  0.666522  0.609304  1
  S  S115  1  0.583333  0.791188  0.609474  1
  S  S116  1  0.666608  0.916234  0.610446  1
  S  S117  1  0.249545  0.041699  0.610821  1
  S  S118  1  0.333025  0.166580  0.609873  1
  S  S119  1  0.416538  0.291726  0.609762  1
  S  S120  1  0.499998  0.416801  0.609513  1
  S  S121  1  0.583333  0.541751  0.609128  1
  S  S122  1  0.666563  0.666522  0.609304  1
  S  S123  1  0.749968  0.791130  0.610506  1
  S  S124  1  0.833138  0.916589  0.612016  1
  S  S125  1  0.416516  0.041535  0.610564  1
  S  S126  1  0.499871  0.166546  0.610107  1
  S  S127  1  0.583333  0.291667  0.609784  1
  S  S128  1  0.666669  0.416801  0.609513  1
  S  S129  1  0.749851  0.541806  0.609583  1
  S  S130  1  0.832918  0.666571  0.610740  1
  S  S131  1  0.916414  0.790752  0.615605  1
  S  S132  1  0.000807  0.917227  0.615683  1
  S  S133  1  0.583333  0.041379  0.610359  1
  S  S134  1  0.666796  0.166546  0.610107  1
  S  S135  1  0.750128  0.291726  0.609762  1
  S  S136  1  0.833314  0.416976  0.609782  1
  S  S137  1  0.916306  0.542109  0.610911  1
  S  S138  1  -0.001028  0.667145  0.615816  1
  S  S139  1  0.750150  0.041535  0.610564  1
  S  S140  1  0.833642  0.166580  0.609873  1
  S  S141  1  0.916738  0.291799  0.609781  1
  S  S142  1  -0.000093  0.416874  0.610468  1
  S  S143  1  0.917122  0.041699  0.610821  1
  S  S144  1  0.000104  0.166770  0.609798  1
