# 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  0.791681  0.330305  1
  W  W2  1  0.003108  0.751631  0.508933  1
  W  W3  1  0.083333  0.871887  0.508945  1
  W  W4  1  0.000049  0.500883  0.500614  1
  W  W5  1  0.083333  0.627015  0.504391  1
  W  W6  1  0.163558  0.751631  0.508933  1
  W  W7  1  0.248160  0.874038  0.504155  1
  W  W8  1  0.000057  0.250071  0.499086  1
  W  W9  1  0.083333  0.375511  0.499591  1
  W  W10  1  0.166618  0.500883  0.500614  1
  W  W11  1  0.249342  0.626077  0.500965  1
  W  W12  1  0.332112  0.750024  0.500728  1
  W  W13  1  0.416072  0.874562  0.500335  1
  W  W14  1  0.000637  -0.001006  0.500948  1
  W  W15  1  0.083333  0.124724  0.499278  1
  W  W16  1  0.166609  0.250071  0.499086  1
  W  W17  1  0.249870  0.375370  0.499313  1
  W  W18  1  0.333040  0.500582  0.499239  1
  W  W19  1  0.416399  0.625206  0.498957  1
  W  W20  1  0.499623  0.749903  0.498875  1
  W  W21  1  0.583333  0.874703  0.499404  1
  W  W22  1  0.166030  -0.001006  0.500948  1
  W  W23  1  0.249634  0.124546  0.499313  1
  W  W24  1  0.333140  0.249919  0.499152  1
  W  W25  1  0.416516  0.375168  0.499011  1
  W  W26  1  0.499900  0.500169  0.498652  1
  W  W27  1  0.583333  0.625118  0.498418  1
  W  W28  1  0.667044  0.749903  0.498875  1
  W  W29  1  0.750595  0.874562  0.500335  1
  W  W30  1  0.332671  -0.000501  0.500506  1
  W  W31  1  0.416418  0.124664  0.499522  1
  W  W32  1  0.499902  0.249864  0.499233  1
  W  W33  1  0.583333  0.375028  0.498908  1
  W  W34  1  0.666767  0.500169  0.498652  1
  W  W35  1  0.750268  0.625206  0.498957  1
  W  W36  1  0.834555  0.750024  0.500728  1
  W  W37  1  0.918507  0.874038  0.504155  1
  W  W38  1  0.499747  -0.000429  0.499890  1
  W  W39  1  0.583333  0.124673  0.499630  1
  W  W40  1  0.666764  0.249864  0.499233  1
  W  W41  1  0.750151  0.375168  0.499011  1
  W  W42  1  0.833626  0.500582  0.499239  1
  W  W43  1  0.917325  0.626077  0.500965  1
  W  W44  1  0.666919  -0.000429  0.499890  1
  W  W45  1  0.750249  0.124664  0.499522  1
  W  W46  1  0.833527  0.249919  0.499152  1
  W  W47  1  0.916797  0.375371  0.499313  1
  W  W48  1  0.833996  -0.000501  0.500506  1
  W  W49  1  0.917033  0.124546  0.499313  1
  S  S50  1  0.164104  0.912516  0.393563  1
  S  S51  1  0.083333  0.544041  0.391495  1
  S  S52  1  0.163767  0.670714  0.393642  1
  S  S53  1  0.244586  0.791840  0.393486  1
  S  S54  1  0.331212  0.915512  0.391246  1
  S  S55  1  0.083333  0.292098  0.388613  1
  S  S56  1  0.166482  0.417730  0.389201  1
  S  S57  1  0.249144  0.542987  0.389474  1
  S  S58  1  0.332216  0.667217  0.389332  1
  S  S59  1  0.415203  0.791649  0.389164  1
  S  S60  1  0.499353  0.916261  0.389190  1
  S  S61  1  0.083333  0.040614  0.389542  1
  S  S62  1  0.166575  0.166429  0.388446  1
  S  S63  1  0.249908  0.291893  0.388521  1
  S  S64  1  0.333041  0.417132  0.388529  1
  S  S65  1  0.416259  0.541937  0.388112  1
  S  S66  1  0.499631  0.666800  0.387856  1
  S  S67  1  0.583333  0.791623  0.388316  1
  S  S68  1  0.667314  0.916261  0.389190  1
  S  S69  1  0.249232  0.040422  0.389458  1
  S  S70  1  0.333081  0.166258  0.388690  1
  S  S71  1  0.416539  0.291591  0.388535  1
  S  S72  1  0.499885  0.416661  0.388191  1
  S  S73  1  0.583333  0.541739  0.387812  1
  S  S74  1  0.667036  0.666800  0.387856  1
  S  S75  1  0.751464  0.791649  0.389164  1
  S  S76  1  0.835455  0.915512  0.391246  1
  S  S77  1  0.416057  0.040960  0.389345  1
  S  S78  1  0.499912  0.166259  0.388869  1
  S  S79  1  0.583333  0.291454  0.388526  1
  S  S80  1  0.666782  0.416661  0.388191  1
  S  S81  1  0.750408  0.541937  0.388112  1
  S  S82  1  0.834450  0.667217  0.389332  1
  S  S83  1  0.922080  0.791840  0.393486  1
  S  S84  1  0.002563  0.912516  0.393563  1
  S  S85  1  0.583333  0.041141  0.389225  1
  S  S86  1  0.666755  0.166259  0.388869  1
  S  S87  1  0.750128  0.291591  0.388535  1
  S  S88  1  0.833626  0.417132  0.388529  1
  S  S89  1  0.917523  0.542987  0.389473  1
  S  S90  1  0.002900  0.670714  0.393642  1
  S  S91  1  0.750609  0.040960  0.389345  1
  S  S92  1  0.833585  0.166258  0.388690  1
  S  S93  1  0.916758  0.291894  0.388520  1
  S  S94  1  0.000184  0.417730  0.389201  1
  S  S95  1  0.917434  0.040423  0.389458  1
  S  S96  1  0.000092  0.166429  0.388446  1
  S  S97  1  0.083333  0.791708  0.622575  1
  S  S98  1  0.165831  0.917112  0.615624  1
  S  S99  1  0.083333  0.541801  0.612282  1
  S  S100  1  0.167629  0.667224  0.615721  1
  S  S101  1  0.250152  0.790764  0.615534  1
  S  S102  1  0.333439  0.916530  0.612025  1
  S  S103  1  0.083333  0.291806  0.609833  1
  S  S104  1  0.166751  0.416915  0.610464  1
  S  S105  1  0.250308  0.542192  0.610954  1
  S  S106  1  0.333644  0.666654  0.610755  1
  S  S107  1  0.416613  0.791146  0.610599  1
  S  S108  1  0.500024  0.916201  0.610512  1
  S  S109  1  0.083333  0.041822  0.610905  1
  S  S110  1  0.166550  0.166667  0.609832  1
  S  S111  1  0.249915  0.291794  0.609805  1
  S  S112  1  0.333328  0.417036  0.609776  1
  S  S113  1  0.416752  0.541888  0.609637  1
  S  S114  1  0.500045  0.666589  0.609422  1
  S  S115  1  0.583333  0.791216  0.609584  1
  S  S116  1  0.666643  0.916201  0.610512  1
  S  S117  1  0.249492  0.041597  0.610866  1
  S  S118  1  0.332989  0.166504  0.609883  1
  S  S119  1  0.416515  0.291729  0.609719  1
  S  S120  1  0.499988  0.416846  0.609489  1
  S  S121  1  0.583333  0.541835  0.609214  1
  S  S122  1  0.666622  0.666589  0.609422  1
  S  S123  1  0.750054  0.791146  0.610598  1
  S  S124  1  0.833228  0.916530  0.612025  1
  S  S125  1  0.416463  0.041469  0.610580  1
  S  S126  1  0.499847  0.166524  0.610072  1
  S  S127  1  0.583333  0.291677  0.609721  1
  S  S128  1  0.666679  0.416846  0.609489  1
  S  S129  1  0.749915  0.541888  0.609637  1
  S  S130  1  0.833022  0.666654  0.610755  1
  S  S131  1  0.916515  0.790764  0.615534  1
  S  S132  1  0.000836  0.917112  0.615624  1
  S  S133  1  0.583333  0.041327  0.610403  1
  S  S134  1  0.666819  0.166524  0.610072  1
  S  S135  1  0.750151  0.291729  0.609719  1
  S  S136  1  0.833339  0.417037  0.609776  1
  S  S137  1  0.916359  0.542192  0.610954  1
  S  S138  1  -0.000962  0.667224  0.615721  1
  S  S139  1  0.750203  0.041469  0.610580  1
  S  S140  1  0.833678  0.166504  0.609883  1
  S  S141  1  0.916752  0.291794  0.609804  1
  S  S142  1  -0.000084  0.416915  0.610464  1
  S  S143  1  0.917175  0.041597  0.610865  1
  S  S144  1  0.000116  0.166667  0.609832  1
