# generated using pymatgen data_KW48S95 _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 KW48S95 _chemical_formula_sum 'K1 W48 S95' _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 0.083334 0.791690 0.257837 1 W W2 1 0.003459 0.751789 0.508857 1 W W3 1 0.083333 0.871552 0.508854 1 W W4 1 0.000138 0.500870 0.501005 1 W W5 1 0.083333 0.626857 0.504576 1 W W6 1 0.163207 0.751789 0.508856 1 W W7 1 0.248267 0.874103 0.504530 1 W W8 1 0.000099 0.250038 0.499548 1 W W9 1 0.083333 0.375455 0.500023 1 W W10 1 0.166529 0.500870 0.501005 1 W W11 1 0.249411 0.626044 0.501511 1 W W12 1 0.332174 0.749996 0.501433 1 W W13 1 0.416003 0.874606 0.500810 1 W W14 1 0.000656 -0.000923 0.501521 1 W W15 1 0.083333 0.124637 0.499906 1 W W16 1 0.166568 0.250038 0.499548 1 W W17 1 0.249801 0.375350 0.499773 1 W W18 1 0.332986 0.500581 0.499898 1 W W19 1 0.416314 0.625275 0.499832 1 W W20 1 0.499625 0.749951 0.499644 1 W W21 1 0.583333 0.874708 0.499765 1 W W22 1 0.166011 -0.000923 0.501521 1 W W23 1 0.249589 0.124526 0.499888 1 W W24 1 0.333068 0.249904 0.499592 1 W W25 1 0.416453 0.375187 0.499656 1 W W26 1 0.499873 0.500222 0.499557 1 W W27 1 0.583333 0.625171 0.499395 1 W W28 1 0.667042 0.749951 0.499644 1 W W29 1 0.750664 0.874606 0.500810 1 W W30 1 0.332647 -0.000576 0.500949 1 W W31 1 0.416367 0.124643 0.499832 1 W W32 1 0.499852 0.249867 0.499720 1 W W33 1 0.583333 0.375083 0.499714 1 W W34 1 0.666794 0.500222 0.499557 1 W W35 1 0.750353 0.625275 0.499832 1 W W36 1 0.834492 0.749996 0.501433 1 W W37 1 0.918400 0.874103 0.504530 1 W W38 1 0.499742 -0.000432 0.500007 1 W W39 1 0.583333 0.124646 0.499706 1 W W40 1 0.666815 0.249867 0.499720 1 W W41 1 0.750214 0.375187 0.499656 1 W W42 1 0.833681 0.500581 0.499898 1 W W43 1 0.917256 0.626044 0.501511 1 W W44 1 0.666925 -0.000431 0.500007 1 W W45 1 0.750300 0.124643 0.499832 1 W W46 1 0.833599 0.249904 0.499592 1 W W47 1 0.916866 0.375350 0.499773 1 W W48 1 0.834019 -0.000576 0.500949 1 W W49 1 0.917077 0.124526 0.499888 1 S S50 1 0.164097 0.912651 0.394137 1 S S51 1 0.083333 0.543926 0.391692 1 S S52 1 0.163924 0.670677 0.394134 1 S S53 1 0.244723 0.791758 0.394119 1 S S54 1 0.331224 0.915512 0.391589 1 S S55 1 0.083333 0.292044 0.389037 1 S S56 1 0.166460 0.417674 0.389633 1 S S57 1 0.249167 0.542992 0.390054 1 S S58 1 0.332273 0.667246 0.389992 1 S S59 1 0.415184 0.791591 0.389840 1 S S60 1 0.499323 0.916159 0.389522 1 S S61 1 0.083333 0.040609 0.390072 1 S S62 1 0.166520 0.166349 0.389058 1 S S63 1 0.249826 0.291888 0.388988 1 S S64 1 0.333027 0.417164 0.389162 1 S S65 1 0.416270 0.542021 0.389032 1 S S66 1 0.499645 0.666794 0.388820 1 S S67 1 0.583333 0.791518 0.388946 1 S S68 1 0.667343 0.916159 0.389522 1 S S69 1 0.249162 0.040414 0.390056 1 S S70 1 0.332949 0.166244 0.389172 1 S S71 1 0.416485 0.291661 0.389121 1 S S72 1 0.499900 0.416777 0.389071 1 S S73 1 0.583333 0.541809 0.388832 1 S S74 1 0.667022 0.666794 0.388820 1 S S75 1 0.751483 0.791591 0.389840 1 S S76 1 0.835443 0.915512 0.391589 1 S S77 1 0.415927 0.040941 0.389666 1 S S78 1 0.499805 0.166320 0.389215 1 S S79 1 0.583333 0.291572 0.389246 1 S S80 1 0.666767 0.416777 0.389071 1 S S81 1 0.750397 0.542021 0.389032 1 S S82 1 0.834394 0.667246 0.389992 1 S S83 1 0.921944 0.791758 0.394119 1 S S84 1 0.002570 0.912651 0.394137 1 S S85 1 0.583333 0.041116 0.389292 1 S S86 1 0.666862 0.166320 0.389215 1 S S87 1 0.750182 0.291661 0.389121 1 S S88 1 0.833639 0.417164 0.389162 1 S S89 1 0.917500 0.542992 0.390054 1 S S90 1 0.002743 0.670677 0.394134 1 S S91 1 0.750740 0.040942 0.389666 1 S S92 1 0.833717 0.166244 0.389172 1 S S93 1 0.916841 0.291888 0.388988 1 S S94 1 0.000207 0.417674 0.389633 1 S S95 1 0.917504 0.040414 0.390056 1 S S96 1 0.000147 0.166349 0.389058 1 S S97 1 0.083333 0.791704 0.622857 1 S S98 1 0.165652 0.916915 0.615734 1 S S99 1 0.083333 0.541837 0.612714 1 S S100 1 0.167454 0.667402 0.615751 1 S S101 1 0.249817 0.790750 0.615693 1 S S102 1 0.333387 0.916511 0.612584 1 S S103 1 0.083333 0.291775 0.610264 1 S S104 1 0.166669 0.416924 0.610857 1 S S105 1 0.250134 0.542196 0.611433 1 S S106 1 0.333483 0.666695 0.611538 1 S S107 1 0.416545 0.791275 0.611207 1 S S108 1 0.500024 0.916294 0.610752 1 S S109 1 0.083333 0.041768 0.611591 1 S S110 1 0.166526 0.166672 0.610389 1 S S111 1 0.249824 0.291772 0.610200 1 S S112 1 0.333173 0.416990 0.610346 1 S S113 1 0.416613 0.541903 0.610431 1 S S114 1 0.499999 0.666693 0.610283 1 S S115 1 0.583333 0.791390 0.610239 1 S S116 1 0.666643 0.916294 0.610752 1 S S117 1 0.249513 0.041526 0.611387 1 S S118 1 0.333004 0.166492 0.610302 1 S S119 1 0.416417 0.291670 0.610193 1 S S120 1 0.499891 0.416836 0.610237 1 S S121 1 0.583333 0.541870 0.610124 1 S S122 1 0.666667 0.666693 0.610283 1 S S123 1 0.750121 0.791275 0.611207 1 S S124 1 0.833280 0.916511 0.612584 1 S S125 1 0.416517 0.041413 0.610805 1 S S126 1 0.499878 0.166410 0.610268 1 S S127 1 0.583333 0.291594 0.610239 1 S S128 1 0.666776 0.416836 0.610237 1 S S129 1 0.750053 0.541903 0.610430 1 S S130 1 0.833183 0.666694 0.611538 1 S S131 1 0.916849 0.790750 0.615693 1 S S132 1 0.001014 0.916915 0.615734 1 S S133 1 0.583333 0.041314 0.610418 1 S S134 1 0.666788 0.166410 0.610268 1 S S135 1 0.750250 0.291670 0.610193 1 S S136 1 0.833493 0.416990 0.610346 1 S S137 1 0.916533 0.542196 0.611433 1 S S138 1 -0.000787 0.667402 0.615751 1 S S139 1 0.750150 0.041413 0.610805 1 S S140 1 0.833662 0.166492 0.610302 1 S S141 1 0.916843 0.291772 0.610200 1 S S142 1 -0.000003 0.416924 0.610857 1 S S143 1 0.917154 0.041526 0.611387 1 S S144 1 0.000140 0.166672 0.610389 1