# generated using pymatgen data_InW47S96 _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 InW47S96 _chemical_formula_sum 'In1 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 In In1 1 -0.000000 0.749779 0.500000 1 W W2 1 0.087275 0.878815 0.499997 1 W W3 1 0.000000 0.497197 0.499997 1 W W4 1 0.084912 0.619820 0.499997 1 W W5 1 0.172137 0.751228 0.499995 1 W W6 1 0.252149 0.876368 0.499992 1 W W7 1 0.000000 0.249043 0.500001 1 W W8 1 0.083552 0.373333 0.499998 1 W W9 1 0.166997 0.497907 0.499996 1 W W10 1 0.250188 0.624800 0.499994 1 W W11 1 0.334943 0.750824 0.499992 1 W W12 1 0.417456 0.875922 0.499993 1 W W13 1 0.000000 0.000227 0.500001 1 W W14 1 0.083624 0.124825 0.500000 1 W W15 1 0.166964 0.249377 0.499998 1 W W16 1 0.250351 0.374132 0.499996 1 W W17 1 0.333440 0.499751 0.499995 1 W W18 1 0.416815 0.625192 0.499994 1 W W19 1 0.500000 0.750537 0.499997 1 W W20 1 0.582544 0.875921 0.499999 1 W W21 1 0.168376 0.001151 0.499994 1 W W22 1 0.250753 0.125526 0.499995 1 W W23 1 0.333675 0.250086 0.499995 1 W W24 1 0.416748 0.375084 0.499995 1 W W25 1 0.500000 0.500113 0.499997 1 W W26 1 0.583185 0.625192 0.499998 1 W W27 1 0.665057 0.750824 0.500001 1 W W28 1 0.747851 0.876369 0.500002 1 W W29 1 0.334330 0.001076 0.499993 1 W W30 1 0.416995 0.125677 0.499993 1 W W31 1 0.500000 0.250409 0.499995 1 W W32 1 0.583252 0.375083 0.499997 1 W W33 1 0.666561 0.499751 0.499999 1 W W34 1 0.749812 0.624799 0.500000 1 W W35 1 0.827864 0.751228 0.500001 1 W W36 1 0.912725 0.878815 0.500001 1 W W37 1 0.500000 0.000923 0.499995 1 W W38 1 0.583005 0.125677 0.499997 1 W W39 1 0.666325 0.250086 0.499999 1 W W40 1 0.749649 0.374132 0.499999 1 W W41 1 0.833004 0.497906 0.500000 1 W W42 1 0.915088 0.619820 0.499999 1 W W43 1 0.665670 0.001076 0.500001 1 W W44 1 0.749247 0.125526 0.500002 1 W W45 1 0.833036 0.249377 0.500001 1 W W46 1 0.916448 0.373333 0.500000 1 W W47 1 0.831624 0.001151 0.500004 1 W W48 1 0.916376 0.124825 0.500003 1 S S49 1 0.091626 0.795994 0.387176 1 S S50 1 0.169585 0.918925 0.388382 1 S S51 1 0.083979 0.537941 0.388487 1 S S52 1 0.166406 0.666674 0.390715 1 S S53 1 0.253366 0.792969 0.388466 1 S S54 1 0.334757 0.917881 0.389014 1 S S55 1 0.083444 0.290434 0.389107 1 S S56 1 0.166981 0.415039 0.389100 1 S S57 1 0.250080 0.541215 0.389426 1 S S58 1 0.333559 0.666826 0.389415 1 S S59 1 0.417523 0.792456 0.389012 1 S S60 1 0.499999 0.917708 0.388942 1 S S61 1 0.083670 0.041741 0.389322 1 S S62 1 0.166972 0.166374 0.389165 1 S S63 1 0.250232 0.291128 0.389118 1 S S64 1 0.333391 0.416495 0.389268 1 S S65 1 0.416665 0.541773 0.389389 1 S S66 1 0.500000 0.666952 0.389326 1 S S67 1 0.582476 0.792456 0.389009 1 S S68 1 0.665242 0.917881 0.389010 1 S S69 1 0.251138 0.042650 0.388978 1 S S70 1 0.333815 0.167109 0.389044 1 S S71 1 0.416774 0.291948 0.389157 1 S S72 1 0.500000 0.416846 0.389273 1 S S73 1 0.583335 0.541773 0.389387 1 S S74 1 0.666441 0.666826 0.389412 1 S S75 1 0.746634 0.792969 0.388462 1 S S76 1 0.830416 0.918925 0.388378 1 S S77 1 0.417134 0.042597 0.388974 1 S S78 1 0.500000 0.167324 0.389075 1 S S79 1 0.583226 0.291948 0.389156 1 S S80 1 0.666609 0.416495 0.389266 1 S S81 1 0.749921 0.541214 0.389422 1 S S82 1 0.833595 0.666674 0.390712 1 S S83 1 0.908374 0.795994 0.387175 1 S S84 1 0.000000 0.916608 0.390585 1 S S85 1 0.582865 0.042598 0.388972 1 S S86 1 0.666185 0.167109 0.389042 1 S S87 1 0.749768 0.291128 0.389116 1 S S88 1 0.833019 0.415039 0.389099 1 S S89 1 0.916022 0.537941 0.388486 1 S S90 1 0.000000 0.657827 0.387203 1 S S91 1 0.748862 0.042650 0.388973 1 S S92 1 0.833029 0.166374 0.389163 1 S S93 1 0.916556 0.290434 0.389106 1 S S94 1 0.000000 0.414412 0.389096 1 S S95 1 0.916330 0.041741 0.389320 1 S S96 1 0.000000 0.165997 0.389244 1 S S97 1 0.091625 0.795994 0.612826 1 S S98 1 0.169584 0.918925 0.611624 1 S S99 1 0.083978 0.537941 0.611517 1 S S100 1 0.166405 0.666674 0.609290 1 S S101 1 0.253366 0.792969 0.611541 1 S S102 1 0.334757 0.917881 0.610994 1 S S103 1 0.083444 0.290433 0.610894 1 S S104 1 0.166981 0.415039 0.610903 1 S S105 1 0.250079 0.541213 0.610580 1 S S106 1 0.333559 0.666826 0.610590 1 S S107 1 0.417523 0.792455 0.610995 1 S S108 1 0.500001 0.917708 0.611064 1 S S109 1 0.083669 0.041741 0.610679 1 S S110 1 0.166971 0.166374 0.610837 1 S S111 1 0.250232 0.291128 0.610886 1 S S112 1 0.333391 0.416494 0.610737 1 S S113 1 0.416665 0.541773 0.610616 1 S S114 1 0.500000 0.666951 0.610676 1 S S115 1 0.582477 0.792456 0.610992 1 S S116 1 0.665243 0.917881 0.610990 1 S S117 1 0.251138 0.042650 0.611029 1 S S118 1 0.333815 0.167109 0.610961 1 S S119 1 0.416774 0.291948 0.610848 1 S S120 1 0.500000 0.416846 0.610730 1 S S121 1 0.583335 0.541773 0.610615 1 S S122 1 0.666441 0.666826 0.610588 1 S S123 1 0.746634 0.792969 0.611537 1 S S124 1 0.830415 0.918925 0.611620 1 S S125 1 0.417135 0.042598 0.611033 1 S S126 1 0.500000 0.167324 0.610930 1 S S127 1 0.583226 0.291948 0.610847 1 S S128 1 0.666609 0.416495 0.610735 1 S S129 1 0.749921 0.541214 0.610578 1 S S130 1 0.833595 0.666674 0.609288 1 S S131 1 0.908374 0.795994 0.612825 1 S S132 1 -0.000000 0.916608 0.609415 1 S S133 1 0.582866 0.042598 0.611030 1 S S134 1 0.666185 0.167109 0.610959 1 S S135 1 0.749768 0.291128 0.610884 1 S S136 1 0.833019 0.415039 0.610902 1 S S137 1 0.916021 0.537941 0.611516 1 S S138 1 -0.000000 0.657827 0.612798 1 S S139 1 0.748862 0.042650 0.611024 1 S S140 1 0.833029 0.166374 0.610835 1 S S141 1 0.916556 0.290433 0.610893 1 S S142 1 -0.000000 0.414412 0.610906 1 S S143 1 0.916330 0.041741 0.610677 1 S S144 1 -0.000000 0.165997 0.610755 1