# generated using pymatgen data_SbW47S96 _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 SbW47S96 _chemical_formula_sum 'Sb1 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 Sb Sb1 1 -0.000000 0.749366 0.500000 1 W W2 1 0.088656 0.879889 0.500000 1 W W3 1 0.000000 0.497050 0.500000 1 W W4 1 0.085263 0.618171 0.499999 1 W W5 1 0.173787 0.751756 0.499999 1 W W6 1 0.252335 0.876481 0.499999 1 W W7 1 0.000000 0.249574 0.500001 1 W W8 1 0.083771 0.373450 0.500000 1 W W9 1 0.167650 0.497544 0.499999 1 W W10 1 0.250465 0.624465 0.499999 1 W W11 1 0.335404 0.750365 0.499999 1 W W12 1 0.417670 0.875671 0.499999 1 W W13 1 -0.000000 0.000847 0.500001 1 W W14 1 0.083656 0.125477 0.500001 1 W W15 1 0.167031 0.249717 0.500000 1 W W16 1 0.250682 0.374074 0.499999 1 W W17 1 0.333717 0.499389 0.499998 1 W W18 1 0.417044 0.624707 0.499998 1 W W19 1 0.500000 0.749933 0.499998 1 W W20 1 0.582330 0.875671 0.499999 1 W W21 1 0.168497 0.002031 0.500000 1 W W22 1 0.250749 0.125919 0.500000 1 W W23 1 0.333787 0.250151 0.499999 1 W W24 1 0.416883 0.374889 0.499999 1 W W25 1 0.500000 0.499672 0.499998 1 W W26 1 0.582956 0.624707 0.499999 1 W W27 1 0.664596 0.750365 0.499999 1 W W28 1 0.747665 0.876481 0.500000 1 W W29 1 0.334381 0.001248 0.500000 1 W W30 1 0.417028 0.125673 0.500000 1 W W31 1 0.500000 0.250328 0.500000 1 W W32 1 0.583117 0.374889 0.500000 1 W W33 1 0.666283 0.499389 0.499999 1 W W34 1 0.749535 0.624466 0.500000 1 W W35 1 0.826213 0.751756 0.500000 1 W W36 1 0.911344 0.879889 0.500000 1 W W37 1 0.500000 0.000757 0.499999 1 W W38 1 0.582972 0.125673 0.500000 1 W W39 1 0.666213 0.250151 0.500001 1 W W40 1 0.749318 0.374074 0.500001 1 W W41 1 0.832350 0.497544 0.500000 1 W W42 1 0.914737 0.618171 0.500000 1 W W43 1 0.665618 0.001248 0.500000 1 W W44 1 0.749251 0.125919 0.500001 1 W W45 1 0.832968 0.249717 0.500001 1 W W46 1 0.916229 0.373451 0.500000 1 W W47 1 0.831503 0.002031 0.500001 1 W W48 1 0.916344 0.125477 0.500001 1 S S49 1 0.092021 0.796516 0.389874 1 S S50 1 0.170581 0.920029 0.388034 1 S S51 1 0.084455 0.536723 0.388041 1 S S52 1 0.166741 0.666464 0.390807 1 S S53 1 0.254637 0.793239 0.387977 1 S S54 1 0.335054 0.917951 0.389049 1 S S55 1 0.083533 0.290706 0.388948 1 S S56 1 0.167394 0.414732 0.388936 1 S S57 1 0.250561 0.540848 0.389302 1 S S58 1 0.333951 0.666390 0.389370 1 S S59 1 0.417874 0.792155 0.388934 1 S S60 1 0.500000 0.917570 0.388777 1 S S61 1 0.083715 0.042498 0.389286 1 S S62 1 0.167032 0.166848 0.389003 1 S S63 1 0.250435 0.291157 0.388971 1 S S64 1 0.333696 0.416223 0.389051 1 S S65 1 0.416855 0.541313 0.389207 1 S S66 1 0.500000 0.666428 0.389053 1 S S67 1 0.582126 0.792155 0.388934 1 S S68 1 0.664946 0.917951 0.389048 1 S S69 1 0.251426 0.043211 0.388858 1 S S70 1 0.333931 0.167249 0.388939 1 S S71 1 0.416864 0.291834 0.389005 1 S S72 1 0.500000 0.416536 0.389046 1 S S73 1 0.583145 0.541313 0.389207 1 S S74 1 0.666049 0.666391 0.389370 1 S S75 1 0.745363 0.793239 0.387977 1 S S76 1 0.829419 0.920029 0.388033 1 S S77 1 0.417227 0.042609 0.388906 1 S S78 1 0.500000 0.167271 0.388963 1 S S79 1 0.583136 0.291834 0.389005 1 S S80 1 0.666304 0.416223 0.389050 1 S S81 1 0.749439 0.540848 0.389302 1 S S82 1 0.833259 0.666464 0.390807 1 S S83 1 0.907979 0.796516 0.389874 1 S S84 1 0.000000 0.917250 0.390764 1 S S85 1 0.582773 0.042609 0.388906 1 S S86 1 0.666069 0.167249 0.388939 1 S S87 1 0.749565 0.291157 0.388970 1 S S88 1 0.832606 0.414732 0.388935 1 S S89 1 0.915545 0.536723 0.388041 1 S S90 1 0.000000 0.656816 0.389518 1 S S91 1 0.748574 0.043211 0.388858 1 S S92 1 0.832968 0.166848 0.389002 1 S S93 1 0.916467 0.290706 0.388948 1 S S94 1 0.000000 0.414295 0.389057 1 S S95 1 0.916285 0.042498 0.389286 1 S S96 1 0.000000 0.166625 0.389131 1 S S97 1 0.092021 0.796516 0.610126 1 S S98 1 0.170581 0.920029 0.611966 1 S S99 1 0.084455 0.536723 0.611960 1 S S100 1 0.166741 0.666464 0.609194 1 S S101 1 0.254637 0.793239 0.612023 1 S S102 1 0.335053 0.917951 0.610952 1 S S103 1 0.083533 0.290706 0.611052 1 S S104 1 0.167394 0.414732 0.611065 1 S S105 1 0.250562 0.540849 0.610699 1 S S106 1 0.333950 0.666390 0.610634 1 S S107 1 0.417874 0.792155 0.611068 1 S S108 1 0.500000 0.917570 0.611223 1 S S109 1 0.083715 0.042498 0.610714 1 S S110 1 0.167032 0.166848 0.610997 1 S S111 1 0.250435 0.291157 0.611030 1 S S112 1 0.333696 0.416224 0.610950 1 S S113 1 0.416855 0.541313 0.610795 1 S S114 1 0.500000 0.666428 0.610949 1 S S115 1 0.582126 0.792155 0.611068 1 S S116 1 0.664947 0.917951 0.610952 1 S S117 1 0.251426 0.043211 0.611142 1 S S118 1 0.333931 0.167249 0.611061 1 S S119 1 0.416864 0.291834 0.610995 1 S S120 1 0.500000 0.416536 0.610955 1 S S121 1 0.583145 0.541313 0.610795 1 S S122 1 0.666049 0.666391 0.610634 1 S S123 1 0.745363 0.793239 0.612023 1 S S124 1 0.829419 0.920029 0.611966 1 S S125 1 0.417227 0.042610 0.611095 1 S S126 1 0.500000 0.167271 0.611037 1 S S127 1 0.583136 0.291834 0.610995 1 S S128 1 0.666304 0.416223 0.610950 1 S S129 1 0.749438 0.540849 0.610698 1 S S130 1 0.833259 0.666464 0.609194 1 S S131 1 0.907979 0.796516 0.610126 1 S S132 1 -0.000000 0.917250 0.609236 1 S S133 1 0.582773 0.042610 0.611094 1 S S134 1 0.666069 0.167249 0.611061 1 S S135 1 0.749565 0.291157 0.611029 1 S S136 1 0.832606 0.414732 0.611065 1 S S137 1 0.915545 0.536723 0.611960 1 S S138 1 -0.000000 0.656816 0.610482 1 S S139 1 0.748574 0.043211 0.611142 1 S S140 1 0.832968 0.166848 0.610996 1 S S141 1 0.916467 0.290706 0.611049 1 S S142 1 -0.000000 0.414295 0.610943 1 S S143 1 0.916285 0.042498 0.610713 1 S S144 1 -0.000000 0.166625 0.610868 1