# generated using pymatgen data_ZnW47S96 _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 ZnW47S96 _chemical_formula_sum 'Zn1 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 Zn Zn1 1 0.000000 0.750001 0.500000 1 W W2 1 0.086794 0.876939 0.500000 1 W W3 1 -0.000000 0.498235 0.500000 1 W W4 1 0.083496 0.621411 0.500000 1 W W5 1 0.170198 0.751683 0.500000 1 W W6 1 0.251505 0.875907 0.500000 1 W W7 1 0.000000 0.249430 0.500000 1 W W8 1 0.083499 0.373965 0.500000 1 W W9 1 0.166980 0.498738 0.500001 1 W W10 1 0.249927 0.625002 0.500001 1 W W11 1 0.334407 0.750419 0.500001 1 W W12 1 0.417210 0.875525 0.500000 1 W W13 1 0.000000 -0.000092 0.500000 1 W W14 1 0.083501 0.124807 0.500000 1 W W15 1 0.166855 0.249597 0.500000 1 W W16 1 0.250286 0.374454 0.500000 1 W W17 1 0.333316 0.499867 0.500001 1 W W18 1 0.416691 0.625089 0.500001 1 W W19 1 0.500000 0.750190 0.500000 1 W W20 1 0.582790 0.875525 0.500000 1 W W21 1 0.167697 0.000817 0.500000 1 W W22 1 0.250444 0.125362 0.500000 1 W W23 1 0.333590 0.250036 0.500000 1 W W24 1 0.416741 0.375037 0.500000 1 W W25 1 0.500000 0.500016 0.500000 1 W W26 1 0.583309 0.625089 0.500000 1 W W27 1 0.665593 0.750419 0.500000 1 W W28 1 0.748495 0.875907 0.500000 1 W W29 1 0.334036 0.000692 0.500000 1 W W30 1 0.416892 0.125421 0.500000 1 W W31 1 0.500000 0.250236 0.500000 1 W W32 1 0.583259 0.375037 0.500000 1 W W33 1 0.666684 0.499867 0.500000 1 W W34 1 0.750073 0.625002 0.500000 1 W W35 1 0.829802 0.751683 0.500000 1 W W36 1 0.913206 0.876939 0.500000 1 W W37 1 0.500000 0.000544 0.500000 1 W W38 1 0.583108 0.125421 0.500000 1 W W39 1 0.666410 0.250036 0.500000 1 W W40 1 0.749714 0.374454 0.500000 1 W W41 1 0.833020 0.498738 0.500000 1 W W42 1 0.916504 0.621411 0.500000 1 W W43 1 0.665964 0.000692 0.500000 1 W W44 1 0.749556 0.125362 0.500000 1 W W45 1 0.833145 0.249597 0.500000 1 W W46 1 0.916501 0.373965 0.500000 1 W W47 1 0.832303 0.000817 0.500000 1 W W48 1 0.916499 0.124807 0.500000 1 S S49 1 0.088003 0.794076 0.388839 1 S S50 1 0.168826 0.918186 0.388577 1 S S51 1 0.083691 0.539197 0.388667 1 S S52 1 0.165808 0.667076 0.390579 1 S S53 1 0.252381 0.792657 0.388602 1 S S54 1 0.334370 0.917468 0.389074 1 S S55 1 0.083424 0.290901 0.389161 1 S S56 1 0.166932 0.415646 0.389183 1 S S57 1 0.249982 0.541536 0.389325 1 S S58 1 0.333338 0.666739 0.389316 1 S S59 1 0.417260 0.792074 0.389121 1 S S60 1 0.500000 0.917264 0.389035 1 S S61 1 0.083438 0.041577 0.389258 1 S S62 1 0.166802 0.166476 0.389173 1 S S63 1 0.250192 0.291306 0.389179 1 S S64 1 0.333411 0.416561 0.389246 1 S S65 1 0.416637 0.541678 0.389351 1 S S66 1 0.500000 0.666703 0.389264 1 S S67 1 0.582740 0.792074 0.389121 1 S S68 1 0.665630 0.917468 0.389074 1 S S69 1 0.250767 0.042329 0.389106 1 S S70 1 0.333641 0.166929 0.389118 1 S S71 1 0.416762 0.291818 0.389174 1 S S72 1 0.500000 0.416745 0.389227 1 S S73 1 0.583363 0.541678 0.389351 1 S S74 1 0.666662 0.666739 0.389316 1 S S75 1 0.747619 0.792657 0.388602 1 S S76 1 0.831174 0.918186 0.388577 1 S S77 1 0.417016 0.042264 0.389053 1 S S78 1 0.500000 0.167065 0.389108 1 S S79 1 0.583238 0.291818 0.389174 1 S S80 1 0.666589 0.416561 0.389246 1 S S81 1 0.750018 0.541536 0.389326 1 S S82 1 0.834192 0.667076 0.390579 1 S S83 1 0.911997 0.794076 0.388840 1 S S84 1 -0.000000 0.915822 0.390543 1 S S85 1 0.582984 0.042264 0.389053 1 S S86 1 0.666359 0.166929 0.389118 1 S S87 1 0.749808 0.291306 0.389179 1 S S88 1 0.833068 0.415646 0.389184 1 S S89 1 0.916309 0.539197 0.388667 1 S S90 1 -0.000000 0.661911 0.388877 1 S S91 1 0.749233 0.042329 0.389106 1 S S92 1 0.833198 0.166476 0.389173 1 S S93 1 0.916576 0.290901 0.389161 1 S S94 1 -0.000000 0.415220 0.389167 1 S S95 1 0.916562 0.041577 0.389258 1 S S96 1 0.000000 0.166251 0.389272 1 S S97 1 0.088003 0.794076 0.611160 1 S S98 1 0.168826 0.918186 0.611423 1 S S99 1 0.083691 0.539197 0.611332 1 S S100 1 0.165808 0.667076 0.609420 1 S S101 1 0.252381 0.792657 0.611398 1 S S102 1 0.334370 0.917468 0.610926 1 S S103 1 0.083424 0.290901 0.610839 1 S S104 1 0.166932 0.415646 0.610816 1 S S105 1 0.249982 0.541536 0.610674 1 S S106 1 0.333338 0.666739 0.610683 1 S S107 1 0.417260 0.792074 0.610878 1 S S108 1 0.500000 0.917264 0.610965 1 S S109 1 0.083438 0.041577 0.610742 1 S S110 1 0.166802 0.166476 0.610827 1 S S111 1 0.250192 0.291306 0.610821 1 S S112 1 0.333411 0.416561 0.610754 1 S S113 1 0.416637 0.541678 0.610648 1 S S114 1 0.500000 0.666703 0.610736 1 S S115 1 0.582740 0.792074 0.610878 1 S S116 1 0.665630 0.917468 0.610926 1 S S117 1 0.250767 0.042329 0.610894 1 S S118 1 0.333641 0.166929 0.610883 1 S S119 1 0.416762 0.291818 0.610826 1 S S120 1 0.500000 0.416745 0.610773 1 S S121 1 0.583363 0.541678 0.610648 1 S S122 1 0.666662 0.666739 0.610683 1 S S123 1 0.747619 0.792657 0.611398 1 S S124 1 0.831174 0.918186 0.611423 1 S S125 1 0.417016 0.042264 0.610947 1 S S126 1 0.500000 0.167065 0.610892 1 S S127 1 0.583238 0.291818 0.610826 1 S S128 1 0.666589 0.416561 0.610754 1 S S129 1 0.750018 0.541536 0.610674 1 S S130 1 0.834192 0.667076 0.609420 1 S S131 1 0.911997 0.794076 0.611160 1 S S132 1 0.000000 0.915822 0.609457 1 S S133 1 0.582984 0.042264 0.610947 1 S S134 1 0.666359 0.166929 0.610883 1 S S135 1 0.749808 0.291306 0.610821 1 S S136 1 0.833068 0.415646 0.610816 1 S S137 1 0.916309 0.539197 0.611333 1 S S138 1 0.000000 0.661911 0.611123 1 S S139 1 0.749233 0.042329 0.610894 1 S S140 1 0.833198 0.166476 0.610827 1 S S141 1 0.916576 0.290901 0.610839 1 S S142 1 0.000000 0.415221 0.610833 1 S S143 1 0.916562 0.041577 0.610742 1 S S144 1 0.000000 0.166251 0.610727 1