# generated using pymatgen data_KW47S96 _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 KW47S96 _chemical_formula_sum 'K1 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 K K1 1 -0.000000 0.749676 0.500000 1 W W2 1 0.090871 0.878952 0.500000 1 W W3 1 -0.000000 0.494431 0.499999 1 W W4 1 0.083392 0.616788 0.500000 1 W W5 1 0.174096 0.753815 0.500000 1 W W6 1 0.254463 0.877700 0.500000 1 W W7 1 0.000000 0.248001 0.500000 1 W W8 1 0.083555 0.371810 0.500000 1 W W9 1 0.167297 0.496192 0.500000 1 W W10 1 0.249106 0.625332 0.500000 1 W W11 1 0.336429 0.751474 0.500000 1 W W12 1 0.418113 0.876833 0.499999 1 W W13 1 0.000000 -0.001043 0.500000 1 W W14 1 0.083670 0.124137 0.500001 1 W W15 1 0.167125 0.248619 0.500000 1 W W16 1 0.250559 0.373440 0.500000 1 W W17 1 0.333205 0.499956 0.500000 1 W W18 1 0.416647 0.625520 0.499999 1 W W19 1 0.500000 0.751055 0.499999 1 W W20 1 0.581887 0.876833 0.500000 1 W W21 1 0.169706 0.002031 0.500000 1 W W22 1 0.251324 0.125875 0.500000 1 W W23 1 0.333883 0.250199 0.500000 1 W W24 1 0.416697 0.375450 0.500000 1 W W25 1 0.500000 0.500470 0.499999 1 W W26 1 0.583353 0.625520 0.499999 1 W W27 1 0.663571 0.751474 0.499999 1 W W28 1 0.745538 0.877700 0.500000 1 W W29 1 0.335307 0.001881 0.499999 1 W W30 1 0.417290 0.126353 0.500000 1 W W31 1 0.500000 0.250930 0.500000 1 W W32 1 0.583302 0.375450 0.500001 1 W W33 1 0.666795 0.499956 0.499999 1 W W34 1 0.750894 0.625332 0.499999 1 W W35 1 0.825904 0.753815 0.500000 1 W W36 1 0.909129 0.878952 0.500000 1 W W37 1 0.500000 0.001734 0.500000 1 W W38 1 0.582710 0.126353 0.500000 1 W W39 1 0.666117 0.250199 0.499999 1 W W40 1 0.749441 0.373440 0.499999 1 W W41 1 0.832703 0.496192 0.499999 1 W W42 1 0.916608 0.616788 0.500000 1 W W43 1 0.664693 0.001881 0.500000 1 W W44 1 0.748676 0.125874 0.500000 1 W W45 1 0.832875 0.248619 0.500000 1 W W46 1 0.916445 0.371810 0.499999 1 W W47 1 0.830294 0.002031 0.500000 1 W W48 1 0.916330 0.124137 0.500000 1 S S49 1 0.098873 0.799582 0.384998 1 S S50 1 0.172085 0.920413 0.388270 1 S S51 1 0.084204 0.534991 0.388466 1 S S52 1 0.164386 0.667621 0.392574 1 S S53 1 0.256085 0.794209 0.388448 1 S S54 1 0.336145 0.918989 0.388448 1 S S55 1 0.083519 0.289219 0.388998 1 S S56 1 0.167076 0.413655 0.389020 1 S S57 1 0.249628 0.541406 0.389684 1 S S58 1 0.333099 0.667077 0.389658 1 S S59 1 0.418249 0.793224 0.388800 1 S S60 1 0.500000 0.918624 0.388643 1 S S61 1 0.083643 0.041017 0.389457 1 S S62 1 0.167032 0.165802 0.389163 1 S S63 1 0.250315 0.290631 0.389060 1 S S64 1 0.333249 0.416651 0.389366 1 S S65 1 0.416491 0.542083 0.389553 1 S S66 1 0.500000 0.667248 0.389479 1 S S67 1 0.581751 0.793224 0.388800 1 S S68 1 0.663855 0.918989 0.388447 1 S S69 1 0.252129 0.043328 0.388780 1 S S70 1 0.334174 0.167499 0.388888 1 S S71 1 0.416797 0.292419 0.389179 1 S S72 1 0.500000 0.417239 0.389346 1 S S73 1 0.583509 0.542083 0.389554 1 S S74 1 0.666901 0.667077 0.389659 1 S S75 1 0.743915 0.794209 0.388448 1 S S76 1 0.827915 0.920414 0.388270 1 S S77 1 0.417545 0.043473 0.388731 1 S S78 1 0.500000 0.168036 0.388935 1 S S79 1 0.583203 0.292419 0.389179 1 S S80 1 0.666752 0.416651 0.389366 1 S S81 1 0.750372 0.541406 0.389684 1 S S82 1 0.835614 0.667621 0.392574 1 S S83 1 0.901127 0.799582 0.384998 1 S S84 1 -0.000000 0.914460 0.392370 1 S S85 1 0.582455 0.043473 0.388731 1 S S86 1 0.665826 0.167499 0.388888 1 S S87 1 0.749685 0.290631 0.389061 1 S S88 1 0.832924 0.413655 0.389021 1 S S89 1 0.915796 0.534991 0.388466 1 S S90 1 -0.000000 0.650391 0.385126 1 S S91 1 0.747872 0.043328 0.388780 1 S S92 1 0.832968 0.165802 0.389163 1 S S93 1 0.916481 0.289219 0.388998 1 S S94 1 -0.000000 0.412365 0.388654 1 S S95 1 0.916357 0.041017 0.389457 1 S S96 1 0.000000 0.165090 0.389253 1 S S97 1 0.098873 0.799583 0.615002 1 S S98 1 0.172085 0.920414 0.611730 1 S S99 1 0.084204 0.534991 0.611535 1 S S100 1 0.164386 0.667621 0.607427 1 S S101 1 0.256085 0.794209 0.611552 1 S S102 1 0.336145 0.918989 0.611552 1 S S103 1 0.083519 0.289219 0.611002 1 S S104 1 0.167076 0.413655 0.610980 1 S S105 1 0.249628 0.541406 0.610316 1 S S106 1 0.333099 0.667077 0.610342 1 S S107 1 0.418249 0.793224 0.611201 1 S S108 1 0.500000 0.918624 0.611357 1 S S109 1 0.083643 0.041017 0.610543 1 S S110 1 0.167032 0.165802 0.610837 1 S S111 1 0.250315 0.290631 0.610940 1 S S112 1 0.333248 0.416651 0.610634 1 S S113 1 0.416491 0.542083 0.610447 1 S S114 1 0.500000 0.667248 0.610522 1 S S115 1 0.581751 0.793224 0.611201 1 S S116 1 0.663855 0.918989 0.611552 1 S S117 1 0.252129 0.043327 0.611219 1 S S118 1 0.334174 0.167499 0.611112 1 S S119 1 0.416797 0.292419 0.610822 1 S S120 1 0.500000 0.417239 0.610654 1 S S121 1 0.583509 0.542083 0.610447 1 S S122 1 0.666901 0.667077 0.610342 1 S S123 1 0.743915 0.794209 0.611552 1 S S124 1 0.827915 0.920414 0.611730 1 S S125 1 0.417545 0.043473 0.611269 1 S S126 1 0.500000 0.168035 0.611065 1 S S127 1 0.583203 0.292419 0.610822 1 S S128 1 0.666751 0.416651 0.610635 1 S S129 1 0.750372 0.541406 0.610317 1 S S130 1 0.835614 0.667621 0.607427 1 S S131 1 0.901127 0.799583 0.615002 1 S S132 1 0.000000 0.914460 0.607629 1 S S133 1 0.582455 0.043473 0.611268 1 S S134 1 0.665826 0.167499 0.611112 1 S S135 1 0.749685 0.290631 0.610940 1 S S136 1 0.832924 0.413655 0.610980 1 S S137 1 0.915796 0.534991 0.611535 1 S S138 1 0.000000 0.650391 0.614875 1 S S139 1 0.747871 0.043327 0.611218 1 S S140 1 0.832968 0.165802 0.610837 1 S S141 1 0.916481 0.289219 0.611002 1 S S142 1 0.000000 0.412365 0.611347 1 S S143 1 0.916357 0.041017 0.610543 1 S S144 1 -0.000000 0.165090 0.610747 1