# generated using pymatgen data_GeW47S96 _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 GeW47S96 _chemical_formula_sum 'Ge1 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 Ge Ge1 1 0.000000 0.749825 0.500000 1 W W2 1 0.086561 0.877697 0.500000 1 W W3 1 -0.000000 0.497656 0.500001 1 W W4 1 0.084469 0.621106 0.500000 1 W W5 1 0.170908 0.751051 0.500000 1 W W6 1 0.252053 0.876155 0.500000 1 W W7 1 -0.000000 0.248930 0.500000 1 W W8 1 0.083125 0.373503 0.500001 1 W W9 1 0.166018 0.498201 0.500001 1 W W10 1 0.249460 0.625270 0.500001 1 W W11 1 0.334462 0.751333 0.500000 1 W W12 1 0.417408 0.876045 0.500000 1 W W13 1 0.000000 -0.000720 0.500000 1 W W14 1 0.083542 0.124690 0.500000 1 W W15 1 0.166651 0.249066 0.500000 1 W W16 1 0.250365 0.374700 0.500000 1 W W17 1 0.333492 0.499977 0.500000 1 W W18 1 0.416799 0.625240 0.500000 1 W W19 1 0.500000 0.750287 0.500000 1 W W20 1 0.582592 0.876045 0.500000 1 W W21 1 0.168684 0.000308 0.500000 1 W W22 1 0.250034 0.125236 0.500001 1 W W23 1 0.333578 0.250183 0.500000 1 W W24 1 0.416265 0.375464 0.500000 1 W W25 1 0.500000 0.500497 0.500000 1 W W26 1 0.583201 0.625240 0.500000 1 W W27 1 0.665538 0.751333 0.500000 1 W W28 1 0.747947 0.876155 0.500000 1 W W29 1 0.334349 0.000620 0.500000 1 W W30 1 0.417477 0.125577 0.500001 1 W W31 1 0.500000 0.249972 0.500000 1 W W32 1 0.583735 0.375464 0.500000 1 W W33 1 0.666508 0.499977 0.500000 1 W W34 1 0.750540 0.625270 0.500000 1 W W35 1 0.829092 0.751051 0.500000 1 W W36 1 0.913439 0.877697 0.500000 1 W W37 1 0.500000 0.000611 0.500001 1 W W38 1 0.582523 0.125577 0.500000 1 W W39 1 0.666422 0.250183 0.500000 1 W W40 1 0.749635 0.374700 0.500000 1 W W41 1 0.833982 0.498201 0.500000 1 W W42 1 0.915532 0.621106 0.500000 1 W W43 1 0.665651 0.000619 0.500000 1 W W44 1 0.749966 0.125236 0.500000 1 W W45 1 0.833349 0.249066 0.500000 1 W W46 1 0.916875 0.373503 0.500000 1 W W47 1 0.831316 0.000308 0.500000 1 W W48 1 0.916458 0.124690 0.500000 1 S S49 1 0.088984 0.794537 0.388682 1 S S50 1 0.169254 0.917855 0.388372 1 S S51 1 0.083198 0.538958 0.388434 1 S S52 1 0.165934 0.667009 0.390373 1 S S53 1 0.252339 0.793116 0.388399 1 S S54 1 0.334722 0.917690 0.388606 1 S S55 1 0.083291 0.290435 0.389170 1 S S56 1 0.166611 0.415245 0.389280 1 S S57 1 0.249558 0.541530 0.389897 1 S S58 1 0.333183 0.667113 0.389804 1 S S59 1 0.417451 0.792512 0.389230 1 S S60 1 0.500000 0.917653 0.388785 1 S S61 1 0.083663 0.041111 0.389775 1 S S62 1 0.166680 0.166192 0.388943 1 S S63 1 0.250004 0.291356 0.389557 1 S S64 1 0.333239 0.416853 0.389058 1 S S65 1 0.416637 0.541958 0.389225 1 S S66 1 0.500000 0.666900 0.389215 1 S S67 1 0.582549 0.792512 0.389231 1 S S68 1 0.665278 0.917690 0.388607 1 S S69 1 0.251173 0.042263 0.389093 1 S S70 1 0.333564 0.166846 0.389572 1 S S71 1 0.416868 0.292040 0.389515 1 S S72 1 0.500000 0.417037 0.389559 1 S S73 1 0.583363 0.541958 0.389226 1 S S74 1 0.666817 0.667113 0.389804 1 S S75 1 0.747661 0.793116 0.388400 1 S S76 1 0.830746 0.917855 0.388372 1 S S77 1 0.417141 0.042386 0.389096 1 S S78 1 0.500000 0.167192 0.388690 1 S S79 1 0.583132 0.292040 0.389516 1 S S80 1 0.666761 0.416853 0.389058 1 S S81 1 0.750442 0.541530 0.389898 1 S S82 1 0.834066 0.667009 0.390372 1 S S83 1 0.911016 0.794537 0.388682 1 S S84 1 -0.000000 0.915843 0.390341 1 S S85 1 0.582859 0.042386 0.389096 1 S S86 1 0.666436 0.166846 0.389572 1 S S87 1 0.749996 0.291356 0.389557 1 S S88 1 0.833389 0.415245 0.389280 1 S S89 1 0.916802 0.538958 0.388434 1 S S90 1 -0.000000 0.660836 0.388724 1 S S91 1 0.748827 0.042263 0.389094 1 S S92 1 0.833320 0.166192 0.388943 1 S S93 1 0.916709 0.290435 0.389170 1 S S94 1 0.000000 0.414760 0.388725 1 S S95 1 0.916337 0.041111 0.389775 1 S S96 1 -0.000000 0.165835 0.389158 1 S S97 1 0.088984 0.794537 0.611318 1 S S98 1 0.169254 0.917855 0.611628 1 S S99 1 0.083198 0.538958 0.611566 1 S S100 1 0.165934 0.667009 0.609627 1 S S101 1 0.252339 0.793116 0.611600 1 S S102 1 0.334722 0.917690 0.611393 1 S S103 1 0.083291 0.290435 0.610830 1 S S104 1 0.166611 0.415245 0.610720 1 S S105 1 0.249558 0.541530 0.610102 1 S S106 1 0.333183 0.667113 0.610196 1 S S107 1 0.417451 0.792512 0.610769 1 S S108 1 0.500000 0.917653 0.611214 1 S S109 1 0.083663 0.041111 0.610225 1 S S110 1 0.166680 0.166192 0.611057 1 S S111 1 0.250004 0.291356 0.610443 1 S S112 1 0.333239 0.416853 0.610941 1 S S113 1 0.416637 0.541958 0.610774 1 S S114 1 0.500000 0.666900 0.610785 1 S S115 1 0.582549 0.792512 0.610769 1 S S116 1 0.665278 0.917690 0.611393 1 S S117 1 0.251173 0.042263 0.610906 1 S S118 1 0.333564 0.166846 0.610427 1 S S119 1 0.416868 0.292040 0.610484 1 S S120 1 0.500000 0.417037 0.610441 1 S S121 1 0.583363 0.541958 0.610774 1 S S122 1 0.666817 0.667113 0.610196 1 S S123 1 0.747661 0.793116 0.611601 1 S S124 1 0.830746 0.917855 0.611628 1 S S125 1 0.417141 0.042386 0.610902 1 S S126 1 0.500000 0.167191 0.611309 1 S S127 1 0.583132 0.292040 0.610484 1 S S128 1 0.666760 0.416853 0.610942 1 S S129 1 0.750442 0.541530 0.610102 1 S S130 1 0.834066 0.667009 0.609627 1 S S131 1 0.911016 0.794537 0.611318 1 S S132 1 0.000000 0.915843 0.609659 1 S S133 1 0.582859 0.042386 0.610903 1 S S134 1 0.666436 0.166846 0.610428 1 S S135 1 0.749996 0.291356 0.610443 1 S S136 1 0.833389 0.415245 0.610720 1 S S137 1 0.916802 0.538958 0.611566 1 S S138 1 -0.000000 0.660836 0.611276 1 S S139 1 0.748827 0.042263 0.610906 1 S S140 1 0.833320 0.166192 0.611057 1 S S141 1 0.916709 0.290435 0.610830 1 S S142 1 -0.000000 0.414760 0.611275 1 S S143 1 0.916337 0.041111 0.610225 1 S S144 1 0.000000 0.165835 0.610842 1