# 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  0.083272  0.808542  0.342363  1
  W  W2  1  0.005353  0.749573  0.508191  1
  W  W3  1  0.083342  0.874996  0.513490  1
  W  W4  1  0.000085  0.500119  0.501175  1
  W  W5  1  0.083332  0.625421  0.505034  1
  W  W6  1  0.161307  0.749585  0.508178  1
  W  W7  1  0.248185  0.874430  0.504682  1
  W  W8  1  0.000041  0.249861  0.499466  1
  W  W9  1  0.083334  0.374950  0.500085  1
  W  W10  1  0.166581  0.500121  0.501173  1
  W  W11  1  0.249054  0.625592  0.501244  1
  W  W12  1  0.331509  0.749945  0.500537  1
  W  W13  1  0.416034  0.874622  0.499600  1
  W  W14  1  0.000367  -0.000578  0.502825  1
  W  W15  1  0.083334  0.124789  0.500413  1
  W  W16  1  0.166627  0.249861  0.499468  1
  W  W17  1  0.249929  0.374988  0.499394  1
  W  W18  1  0.333007  0.500243  0.499103  1
  W  W19  1  0.416180  0.625165  0.498420  1
  W  W20  1  0.499443  0.749971  0.497862  1
  W  W21  1  0.583334  0.874731  0.498151  1
  W  W22  1  0.166304  -0.000576  0.502827  1
  W  W23  1  0.249866  0.124645  0.499786  1
  W  W24  1  0.333247  0.249837  0.498929  1
  W  W25  1  0.416557  0.375040  0.498476  1
  W  W26  1  0.499882  0.500127  0.497909  1
  W  W27  1  0.583333  0.625084  0.497475  1
  W  W28  1  0.667224  0.749971  0.497863  1
  W  W29  1  0.750636  0.874620  0.499601  1
  W  W30  1  0.332881  -0.000433  0.500597  1
  W  W31  1  0.416538  0.124688  0.499054  1
  W  W32  1  0.499944  0.249872  0.498583  1
  W  W33  1  0.583334  0.375013  0.498195  1
  W  W34  1  0.666783  0.500127  0.497912  1
  W  W35  1  0.750485  0.625164  0.498423  1
  W  W36  1  0.835157  0.749944  0.500539  1
  W  W37  1  0.918485  0.874428  0.504682  1
  W  W38  1  0.499852  -0.000348  0.498870  1
  W  W39  1  0.583334  0.124750  0.498698  1
  W  W40  1  0.666723  0.249872  0.498583  1
  W  W41  1  0.750109  0.375039  0.498477  1
  W  W42  1  0.833658  0.500241  0.499108  1
  W  W43  1  0.917610  0.625588  0.501249  1
  W  W44  1  0.666818  -0.000348  0.498871  1
  W  W45  1  0.750131  0.124688  0.499052  1
  W  W46  1  0.833421  0.249838  0.498929  1
  W  W47  1  0.916737  0.374987  0.499395  1
  W  W48  1  0.833788  -0.000435  0.500593  1
  W  W49  1  0.916803  0.124644  0.499784  1
  S  S50  1  0.163579  0.913205  0.395195  1
  S  S51  1  0.083333  0.542916  0.391928  1
  S  S52  1  0.163114  0.669135  0.393252  1
  S  S53  1  0.242897  0.791434  0.394092  1
  S  S54  1  0.330822  0.915568  0.391263  1
  S  S55  1  0.083335  0.291726  0.388875  1
  S  S56  1  0.166357  0.417172  0.389548  1
  S  S57  1  0.248831  0.542544  0.389808  1
  S  S58  1  0.331548  0.667130  0.389223  1
  S  S59  1  0.414473  0.791597  0.388561  1
  S  S60  1  0.499210  0.916298  0.388167  1
  S  S61  1  0.083336  0.040618  0.391257  1
  S  S62  1  0.166455  0.166176  0.389112  1
  S  S63  1  0.249746  0.291624  0.388514  1
  S  S64  1  0.332838  0.416882  0.388266  1
  S  S65  1  0.415944  0.541841  0.387721  1
  S  S66  1  0.499377  0.666728  0.387138  1
  S  S67  1  0.583333  0.791544  0.387237  1
  S  S68  1  0.667459  0.916298  0.388167  1
  S  S69  1  0.248951  0.040449  0.390266  1
  S  S70  1  0.332949  0.166186  0.388526  1
  S  S71  1  0.416430  0.291508  0.387953  1
  S  S72  1  0.499819  0.416605  0.387464  1
  S  S73  1  0.583333  0.541659  0.386963  1
  S  S74  1  0.667289  0.666727  0.387140  1
  S  S75  1  0.752195  0.791596  0.388562  1
  S  S76  1  0.835846  0.915567  0.391260  1
  S  S77  1  0.415832  0.040994  0.388823  1
  S  S78  1  0.499797  0.166323  0.388094  1
  S  S79  1  0.583334  0.291454  0.387769  1
  S  S80  1  0.666847  0.416604  0.387464  1
  S  S81  1  0.750722  0.541840  0.387727  1
  S  S82  1  0.835118  0.667128  0.389228  1
  S  S83  1  0.923773  0.791430  0.394096  1
  S  S84  1  0.003098  0.913200  0.395195  1
  S  S85  1  0.583335  0.041295  0.388102  1
  S  S86  1  0.666871  0.166324  0.388093  1
  S  S87  1  0.750237  0.291508  0.387952  1
  S  S88  1  0.833827  0.416881  0.388268  1
  S  S89  1  0.917833  0.542544  0.389814  1
  S  S90  1  0.003547  0.669131  0.393252  1
  S  S91  1  0.750837  0.040994  0.388822  1
  S  S92  1  0.833720  0.166186  0.388523  1
  S  S93  1  0.916924  0.291624  0.388513  1
  S  S94  1  0.000309  0.417172  0.389549  1
  S  S95  1  0.917720  0.040448  0.390262  1
  S  S96  1  0.000214  0.166175  0.389112  1
  S  S97  1  0.083332  0.792093  0.622652  1
  S  S98  1  0.168116  0.918092  0.618208  1
  S  S99  1  0.083333  0.540590  0.613334  1
  S  S100  1  0.167506  0.666455  0.616109  1
  S  S101  1  0.249287  0.790665  0.614633  1
  S  S102  1  0.333953  0.916444  0.611937  1
  S  S103  1  0.083334  0.291409  0.610375  1
  S  S104  1  0.166889  0.416225  0.610921  1
  S  S105  1  0.250463  0.541674  0.611136  1
  S  S106  1  0.333607  0.666674  0.610404  1
  S  S107  1  0.416408  0.791123  0.609704  1
  S  S108  1  0.500218  0.916222  0.609367  1
  S  S109  1  0.083333  0.042262  0.612592  1
  S  S110  1  0.166832  0.166735  0.610535  1
  S  S111  1  0.250147  0.291524  0.609917  1
  S  S112  1  0.333543  0.416718  0.609616  1
  S  S113  1  0.416860  0.541841  0.609065  1
  S  S114  1  0.500081  0.666678  0.608420  1
  S  S115  1  0.583334  0.791296  0.608355  1
  S  S116  1  0.666452  0.916222  0.609366  1
  S  S117  1  0.250299  0.041984  0.611643  1
  S  S118  1  0.333488  0.166606  0.609883  1
  S  S119  1  0.416723  0.291698  0.609310  1
  S  S120  1  0.500050  0.416849  0.608838  1
  S  S121  1  0.583332  0.541856  0.608389  1
  S  S122  1  0.666585  0.666678  0.608421  1
  S  S123  1  0.750258  0.791122  0.609705  1
  S  S124  1  0.832719  0.916443  0.611933  1
  S  S125  1  0.416966  0.041487  0.610105  1
  S  S126  1  0.500053  0.166552  0.609421  1
  S  S127  1  0.583334  0.291716  0.609119  1
  S  S128  1  0.666615  0.416848  0.608840  1
  S  S129  1  0.749805  0.541840  0.609069  1
  S  S130  1  0.833057  0.666673  0.610407  1
  S  S131  1  0.917377  0.790665  0.614639  1
  S  S132  1  -0.001443  0.918090  0.618204  1
  S  S133  1  0.583335  0.041381  0.609400  1
  S  S134  1  0.666616  0.166550  0.609420  1
  S  S135  1  0.749943  0.291697  0.609310  1
  S  S136  1  0.833123  0.416716  0.609619  1
  S  S137  1  0.916202  0.541669  0.611141  1
  S  S138  1  -0.000842  0.666445  0.616119  1
  S  S139  1  0.749705  0.041486  0.610104  1
  S  S140  1  0.833182  0.166605  0.609880  1
  S  S141  1  0.916520  0.291522  0.609916  1
  S  S142  1  -0.000221  0.416223  0.610921  1
  S  S143  1  0.916370  0.041982  0.611640  1
  S  S144  1  -0.000165  0.166734  0.610534  1
