# 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 0.749623 0.500000 1 W W2 1 0.091069 0.878826 0.500001 1 W W3 1 -0.000000 0.494237 0.500000 1 W W4 1 0.083136 0.616637 0.500000 1 W W5 1 0.174089 0.754052 0.500001 1 W W6 1 0.254644 0.877763 0.500002 1 W W7 1 -0.000000 0.248115 0.500000 1 W W8 1 0.083692 0.371824 0.500000 1 W W9 1 0.167749 0.495909 0.500000 1 W W10 1 0.249325 0.625184 0.500000 1 W W11 1 0.336807 0.751208 0.500002 1 W W12 1 0.418162 0.876721 0.500002 1 W W13 1 -0.000000 -0.000750 0.500000 1 W W14 1 0.083617 0.124285 0.500000 1 W W15 1 0.167124 0.248745 0.500000 1 W W16 1 0.250609 0.373410 0.500000 1 W W17 1 0.333301 0.499946 0.500000 1 W W18 1 0.416632 0.625367 0.500000 1 W W19 1 0.500000 0.751003 0.500001 1 W W20 1 0.581838 0.876721 0.500000 1 W W21 1 0.169747 0.002550 0.500002 1 W W22 1 0.251353 0.125972 0.500001 1 W W23 1 0.333955 0.250244 0.500000 1 W W24 1 0.416768 0.375395 0.499999 1 W W25 1 0.500000 0.500353 0.499999 1 W W26 1 0.583368 0.625367 0.499999 1 W W27 1 0.663193 0.751208 0.499999 1 W W28 1 0.745356 0.877763 0.499999 1 W W29 1 0.335267 0.001989 0.500002 1 W W30 1 0.417270 0.126344 0.500001 1 W W31 1 0.500000 0.250952 0.499999 1 W W32 1 0.583232 0.375395 0.499999 1 W W33 1 0.666699 0.499945 0.499999 1 W W34 1 0.750675 0.625184 0.500000 1 W W35 1 0.825911 0.754052 0.500000 1 W W36 1 0.908931 0.878826 0.500000 1 W W37 1 0.500000 0.001751 0.500001 1 W W38 1 0.582730 0.126344 0.500000 1 W W39 1 0.666045 0.250244 0.499999 1 W W40 1 0.749391 0.373409 0.500000 1 W W41 1 0.832251 0.495908 0.500000 1 W W42 1 0.916864 0.616637 0.500000 1 W W43 1 0.664733 0.001989 0.500000 1 W W44 1 0.748647 0.125972 0.499999 1 W W45 1 0.832876 0.248745 0.499999 1 W W46 1 0.916308 0.371824 0.500000 1 W W47 1 0.830253 0.002550 0.499999 1 W W48 1 0.916383 0.124284 0.500000 1 S S49 1 0.099206 0.799737 0.386045 1 S S50 1 0.172314 0.920853 0.388486 1 S S51 1 0.084511 0.534570 0.388639 1 S S52 1 0.164512 0.667512 0.392498 1 S S53 1 0.256597 0.794148 0.388591 1 S S54 1 0.336243 0.919028 0.388459 1 S S55 1 0.083507 0.289282 0.388926 1 S S56 1 0.167263 0.413474 0.388865 1 S S57 1 0.249791 0.541338 0.389589 1 S S58 1 0.333214 0.666920 0.389549 1 S S59 1 0.418414 0.793144 0.388671 1 S S60 1 0.500000 0.918616 0.388616 1 S S61 1 0.083613 0.041234 0.389386 1 S S62 1 0.167019 0.165939 0.389111 1 S S63 1 0.250373 0.290638 0.388975 1 S S64 1 0.333334 0.416629 0.389313 1 S S65 1 0.416593 0.541966 0.389426 1 S S66 1 0.500000 0.667105 0.389428 1 S S67 1 0.581586 0.793144 0.388672 1 S S68 1 0.663757 0.919028 0.388460 1 S S69 1 0.252239 0.043578 0.388660 1 S S70 1 0.334194 0.167572 0.388832 1 S S71 1 0.416840 0.292398 0.389086 1 S S72 1 0.500000 0.417182 0.389247 1 S S73 1 0.583407 0.541966 0.389427 1 S S74 1 0.666786 0.666920 0.389550 1 S S75 1 0.743403 0.794148 0.388592 1 S S76 1 0.827686 0.920853 0.388487 1 S S77 1 0.417570 0.043474 0.388681 1 S S78 1 0.500000 0.168038 0.388911 1 S S79 1 0.583160 0.292398 0.389086 1 S S80 1 0.666666 0.416629 0.389314 1 S S81 1 0.750209 0.541338 0.389590 1 S S82 1 0.835487 0.667512 0.392498 1 S S83 1 0.900795 0.799737 0.386045 1 S S84 1 0.000000 0.914665 0.392289 1 S S85 1 0.582430 0.043474 0.388682 1 S S86 1 0.665806 0.167572 0.388833 1 S S87 1 0.749627 0.290638 0.388976 1 S S88 1 0.832737 0.413474 0.388866 1 S S89 1 0.915489 0.534570 0.388640 1 S S90 1 -0.000000 0.649992 0.386171 1 S S91 1 0.747761 0.043578 0.388661 1 S S92 1 0.832981 0.165939 0.389112 1 S S93 1 0.916493 0.289282 0.388926 1 S S94 1 -0.000000 0.412264 0.388657 1 S S95 1 0.916387 0.041235 0.389387 1 S S96 1 -0.000000 0.165275 0.389145 1 S S97 1 0.099205 0.799737 0.613955 1 S S98 1 0.172314 0.920853 0.611512 1 S S99 1 0.084511 0.534570 0.611361 1 S S100 1 0.164512 0.667512 0.607502 1 S S101 1 0.256597 0.794148 0.611408 1 S S102 1 0.336243 0.919028 0.611539 1 S S103 1 0.083507 0.289282 0.611074 1 S S104 1 0.167263 0.413474 0.611135 1 S S105 1 0.249791 0.541338 0.610410 1 S S106 1 0.333214 0.666920 0.610450 1 S S107 1 0.418414 0.793144 0.611327 1 S S108 1 0.500000 0.918616 0.611383 1 S S109 1 0.083613 0.041234 0.610613 1 S S110 1 0.167019 0.165939 0.610888 1 S S111 1 0.250373 0.290638 0.611025 1 S S112 1 0.333334 0.416629 0.610687 1 S S113 1 0.416593 0.541966 0.610574 1 S S114 1 0.500000 0.667105 0.610572 1 S S115 1 0.581586 0.793144 0.611328 1 S S116 1 0.663757 0.919028 0.611540 1 S S117 1 0.252239 0.043578 0.611338 1 S S118 1 0.334194 0.167572 0.611167 1 S S119 1 0.416840 0.292398 0.610914 1 S S120 1 0.500000 0.417182 0.610754 1 S S121 1 0.583407 0.541966 0.610575 1 S S122 1 0.666786 0.666920 0.610451 1 S S123 1 0.743403 0.794148 0.611409 1 S S124 1 0.827686 0.920853 0.611513 1 S S125 1 0.417570 0.043474 0.611317 1 S S126 1 0.500000 0.168038 0.611089 1 S S127 1 0.583161 0.292398 0.610914 1 S S128 1 0.666666 0.416629 0.610688 1 S S129 1 0.750209 0.541338 0.610411 1 S S130 1 0.835488 0.667512 0.607502 1 S S131 1 0.900794 0.799737 0.613955 1 S S132 1 -0.000000 0.914665 0.607710 1 S S133 1 0.582430 0.043474 0.611318 1 S S134 1 0.665806 0.167572 0.611168 1 S S135 1 0.749627 0.290638 0.611025 1 S S136 1 0.832738 0.413474 0.611136 1 S S137 1 0.915489 0.534570 0.611361 1 S S138 1 0.000000 0.649992 0.613829 1 S S139 1 0.747761 0.043578 0.611339 1 S S140 1 0.832981 0.165939 0.610888 1 S S141 1 0.916493 0.289282 0.611074 1 S S142 1 0.000000 0.412264 0.611343 1 S S143 1 0.916387 0.041234 0.610614 1 S S144 1 0.000000 0.165275 0.610855 1