# 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 -0.000000 0.750015 0.500000 1 W W2 1 0.087106 0.875979 0.500001 1 W W3 1 -0.000000 0.497141 0.499999 1 W W4 1 0.082322 0.621520 0.500000 1 W W5 1 0.169385 0.752486 0.500001 1 W W6 1 0.252348 0.876441 0.500001 1 W W7 1 -0.000000 0.248772 0.499999 1 W W8 1 0.083429 0.373277 0.499999 1 W W9 1 0.166882 0.498107 0.500000 1 W W10 1 0.249278 0.625384 0.500001 1 W W11 1 0.334807 0.750857 0.500001 1 W W12 1 0.417410 0.875997 0.500001 1 W W13 1 0.000000 -0.000861 0.500000 1 W W14 1 0.083504 0.124301 0.500000 1 W W15 1 0.166907 0.249172 0.499999 1 W W16 1 0.250182 0.374188 0.499999 1 W W17 1 0.333122 0.500080 0.500000 1 W W18 1 0.416515 0.625404 0.500001 1 W W19 1 0.500000 0.750709 0.500001 1 W W20 1 0.582590 0.875997 0.500000 1 W W21 1 0.168276 0.000935 0.500001 1 W W22 1 0.250715 0.125273 0.500000 1 W W23 1 0.333645 0.250049 0.500000 1 W W24 1 0.416690 0.375198 0.500000 1 W W25 1 0.500000 0.500310 0.500000 1 W W26 1 0.583485 0.625404 0.500001 1 W W27 1 0.665193 0.750857 0.500001 1 W W28 1 0.747652 0.876441 0.500000 1 W W29 1 0.334384 0.000971 0.500001 1 W W30 1 0.416990 0.125668 0.500000 1 W W31 1 0.500000 0.250458 0.499999 1 W W32 1 0.583310 0.375198 0.500000 1 W W33 1 0.666877 0.500080 0.500000 1 W W34 1 0.750722 0.625384 0.500000 1 W W35 1 0.830615 0.752486 0.500000 1 W W36 1 0.912894 0.875979 0.500000 1 W W37 1 0.500000 0.000940 0.500000 1 W W38 1 0.583010 0.125668 0.499999 1 W W39 1 0.666355 0.250049 0.499999 1 W W40 1 0.749818 0.374188 0.499999 1 W W41 1 0.833119 0.498107 0.500000 1 W W42 1 0.917678 0.621520 0.500000 1 W W43 1 0.665616 0.000971 0.500000 1 W W44 1 0.749285 0.125273 0.499999 1 W W45 1 0.833093 0.249172 0.499999 1 W W46 1 0.916571 0.373277 0.499999 1 W W47 1 0.831724 0.000935 0.500000 1 W W48 1 0.916496 0.124301 0.499999 1 S S49 1 0.088862 0.794527 0.390258 1 S S50 1 0.169292 0.918327 0.388923 1 S S51 1 0.083602 0.538602 0.389048 1 S S52 1 0.164957 0.667528 0.390888 1 S S53 1 0.252759 0.793039 0.388952 1 S S54 1 0.334776 0.917869 0.388797 1 S S55 1 0.083405 0.290286 0.389131 1 S S56 1 0.166793 0.415170 0.389123 1 S S57 1 0.249596 0.541745 0.389531 1 S S58 1 0.332970 0.667019 0.389465 1 S S59 1 0.417394 0.792516 0.388976 1 S S60 1 0.500000 0.917714 0.388915 1 S S61 1 0.083444 0.041020 0.389384 1 S S62 1 0.166850 0.166057 0.389225 1 S S63 1 0.250166 0.291097 0.389172 1 S S64 1 0.333236 0.416687 0.389366 1 S S65 1 0.416503 0.541966 0.389453 1 S S66 1 0.500000 0.667061 0.389413 1 S S67 1 0.582606 0.792516 0.388976 1 S S68 1 0.665224 0.917869 0.388797 1 S S69 1 0.251088 0.042383 0.388948 1 S S70 1 0.333738 0.167012 0.389069 1 S S71 1 0.416744 0.292002 0.389192 1 S S72 1 0.500000 0.417001 0.389321 1 S S73 1 0.583497 0.541966 0.389453 1 S S74 1 0.667030 0.667019 0.389465 1 S S75 1 0.747241 0.793040 0.388953 1 S S76 1 0.830708 0.918327 0.388923 1 S S77 1 0.417141 0.042599 0.388935 1 S S78 1 0.500000 0.167354 0.389083 1 S S79 1 0.583256 0.292002 0.389192 1 S S80 1 0.666764 0.416687 0.389366 1 S S81 1 0.750404 0.541745 0.389531 1 S S82 1 0.835043 0.667528 0.390888 1 S S83 1 0.911138 0.794527 0.390258 1 S S84 1 -0.000000 0.914961 0.390785 1 S S85 1 0.582859 0.042599 0.388935 1 S S86 1 0.666262 0.167012 0.389070 1 S S87 1 0.749834 0.291097 0.389172 1 S S88 1 0.833207 0.415170 0.389123 1 S S89 1 0.916398 0.538602 0.389048 1 S S90 1 0.000000 0.660901 0.390361 1 S S91 1 0.748912 0.042383 0.388948 1 S S92 1 0.833150 0.166057 0.389225 1 S S93 1 0.916595 0.290286 0.389131 1 S S94 1 -0.000000 0.414448 0.388951 1 S S95 1 0.916556 0.041020 0.389384 1 S S96 1 -0.000000 0.165638 0.389258 1 S S97 1 0.088862 0.794527 0.609741 1 S S98 1 0.169292 0.918327 0.611076 1 S S99 1 0.083602 0.538602 0.610952 1 S S100 1 0.164957 0.667528 0.609111 1 S S101 1 0.252759 0.793040 0.611047 1 S S102 1 0.334776 0.917869 0.611202 1 S S103 1 0.083405 0.290286 0.610870 1 S S104 1 0.166793 0.415171 0.610877 1 S S105 1 0.249596 0.541746 0.610469 1 S S106 1 0.332970 0.667019 0.610534 1 S S107 1 0.417394 0.792516 0.611023 1 S S108 1 0.500000 0.917714 0.611085 1 S S109 1 0.083444 0.041020 0.610616 1 S S110 1 0.166850 0.166057 0.610775 1 S S111 1 0.250166 0.291097 0.610828 1 S S112 1 0.333236 0.416687 0.610634 1 S S113 1 0.416503 0.541966 0.610546 1 S S114 1 0.500000 0.667061 0.610586 1 S S115 1 0.582606 0.792516 0.611023 1 S S116 1 0.665224 0.917869 0.611202 1 S S117 1 0.251088 0.042383 0.611052 1 S S118 1 0.333738 0.167011 0.610931 1 S S119 1 0.416744 0.292002 0.610808 1 S S120 1 0.500000 0.417001 0.610679 1 S S121 1 0.583497 0.541966 0.610546 1 S S122 1 0.667030 0.667019 0.610534 1 S S123 1 0.747241 0.793039 0.611047 1 S S124 1 0.830708 0.918327 0.611077 1 S S125 1 0.417141 0.042599 0.611065 1 S S126 1 0.500000 0.167354 0.610917 1 S S127 1 0.583256 0.292002 0.610808 1 S S128 1 0.666764 0.416687 0.610634 1 S S129 1 0.750404 0.541746 0.610469 1 S S130 1 0.835043 0.667528 0.609111 1 S S131 1 0.911138 0.794527 0.609742 1 S S132 1 0.000000 0.914961 0.609215 1 S S133 1 0.582859 0.042599 0.611065 1 S S134 1 0.666262 0.167012 0.610931 1 S S135 1 0.749834 0.291097 0.610829 1 S S136 1 0.833207 0.415171 0.610877 1 S S137 1 0.916398 0.538602 0.610952 1 S S138 1 0.000000 0.660901 0.609639 1 S S139 1 0.748912 0.042383 0.611052 1 S S140 1 0.833150 0.166057 0.610776 1 S S141 1 0.916595 0.290286 0.610870 1 S S142 1 0.000000 0.414448 0.611050 1 S S143 1 0.916556 0.041020 0.610616 1 S S144 1 0.000000 0.165638 0.610743 1