# 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 0.749991 0.500000 1 W W2 1 0.087556 0.878678 0.500000 1 W W3 1 -0.000000 0.498144 0.500000 1 W W4 1 0.084683 0.619850 0.500000 1 W W5 1 0.172261 0.751496 0.500000 1 W W6 1 0.251538 0.875966 0.500000 1 W W7 1 0.000000 0.249637 0.500000 1 W W8 1 0.083683 0.373903 0.500000 1 W W9 1 0.167055 0.498343 0.500000 1 W W10 1 0.250296 0.624719 0.500000 1 W W11 1 0.334655 0.750509 0.500000 1 W W12 1 0.417415 0.875464 0.500000 1 W W13 1 -0.000000 0.000445 0.500000 1 W W14 1 0.083587 0.125177 0.500000 1 W W15 1 0.166930 0.249727 0.500000 1 W W16 1 0.250455 0.374368 0.500000 1 W W17 1 0.333524 0.499611 0.500000 1 W W18 1 0.416887 0.624893 0.500000 1 W W19 1 0.500000 0.750021 0.500000 1 W W20 1 0.582585 0.875464 0.500000 1 W W21 1 0.168083 0.001118 0.500000 1 W W22 1 0.250515 0.125557 0.500000 1 W W23 1 0.333687 0.250043 0.500000 1 W W24 1 0.416819 0.374896 0.500000 1 W W25 1 0.500000 0.499811 0.500000 1 W W26 1 0.583113 0.624893 0.500000 1 W W27 1 0.665345 0.750509 0.500000 1 W W28 1 0.748462 0.875966 0.500000 1 W W29 1 0.334101 0.000909 0.500000 1 W W30 1 0.416946 0.125433 0.500000 1 W W31 1 0.500000 0.250172 0.500000 1 W W32 1 0.583181 0.374896 0.500000 1 W W33 1 0.666476 0.499611 0.500000 1 W W34 1 0.749704 0.624719 0.500000 1 W W35 1 0.827739 0.751496 0.500000 1 W W36 1 0.912444 0.878678 0.500000 1 W W37 1 0.500000 0.000518 0.500000 1 W W38 1 0.583054 0.125433 0.500000 1 W W39 1 0.666313 0.250043 0.500000 1 W W40 1 0.749545 0.374368 0.500000 1 W W41 1 0.832945 0.498343 0.500000 1 W W42 1 0.915317 0.619850 0.500000 1 W W43 1 0.665899 0.000909 0.500000 1 W W44 1 0.749485 0.125557 0.500000 1 W W45 1 0.833070 0.249727 0.500000 1 W W46 1 0.916317 0.373903 0.500000 1 W W47 1 0.831917 0.001118 0.500000 1 W W48 1 0.916413 0.125177 0.500000 1 S S49 1 0.087204 0.793807 0.392522 1 S S50 1 0.169498 0.918768 0.387968 1 S S51 1 0.083876 0.538352 0.388017 1 S S52 1 0.166497 0.666683 0.390688 1 S S53 1 0.253145 0.792952 0.387914 1 S S54 1 0.334538 0.917568 0.389217 1 S S55 1 0.083485 0.290975 0.389082 1 S S56 1 0.167154 0.415376 0.389049 1 S S57 1 0.250251 0.541162 0.389356 1 S S58 1 0.333710 0.666629 0.389376 1 S S59 1 0.417488 0.792033 0.389031 1 S S60 1 0.500000 0.917290 0.388909 1 S S61 1 0.083656 0.042043 0.389327 1 S S62 1 0.166900 0.166702 0.389104 1 S S63 1 0.250323 0.291283 0.389122 1 S S64 1 0.333578 0.416383 0.389153 1 S S65 1 0.416745 0.541483 0.389288 1 S S66 1 0.500000 0.666550 0.389147 1 S S67 1 0.582512 0.792033 0.389031 1 S S68 1 0.665462 0.917568 0.389217 1 S S69 1 0.250981 0.042656 0.388980 1 S S70 1 0.333749 0.166997 0.389070 1 S S71 1 0.416827 0.291740 0.389098 1 S S72 1 0.500000 0.416574 0.389153 1 S S73 1 0.583255 0.541483 0.389288 1 S S74 1 0.666290 0.666629 0.389376 1 S S75 1 0.746855 0.792952 0.387914 1 S S76 1 0.830502 0.918768 0.387968 1 S S77 1 0.417082 0.042305 0.389001 1 S S78 1 0.500000 0.167038 0.389041 1 S S79 1 0.583173 0.291740 0.389098 1 S S80 1 0.666422 0.416383 0.389153 1 S S81 1 0.749749 0.541162 0.389356 1 S S82 1 0.833503 0.666683 0.390688 1 S S83 1 0.912796 0.793807 0.392522 1 S S84 1 -0.000000 0.916722 0.390630 1 S S85 1 0.582918 0.042305 0.389001 1 S S86 1 0.666251 0.166997 0.389070 1 S S87 1 0.749677 0.291283 0.389122 1 S S88 1 0.832846 0.415376 0.389049 1 S S89 1 0.916124 0.538352 0.388017 1 S S90 1 -0.000000 0.662421 0.392460 1 S S91 1 0.749019 0.042656 0.388980 1 S S92 1 0.833100 0.166702 0.389104 1 S S93 1 0.916515 0.290975 0.389082 1 S S94 1 0.000000 0.415078 0.389252 1 S S95 1 0.916344 0.042043 0.389327 1 S S96 1 -0.000000 0.166519 0.389240 1 S S97 1 0.087204 0.793807 0.607478 1 S S98 1 0.169498 0.918768 0.612032 1 S S99 1 0.083876 0.538352 0.611983 1 S S100 1 0.166497 0.666683 0.609312 1 S S101 1 0.253145 0.792952 0.612086 1 S S102 1 0.334538 0.917568 0.610783 1 S S103 1 0.083485 0.290975 0.610918 1 S S104 1 0.167154 0.415376 0.610951 1 S S105 1 0.250251 0.541162 0.610644 1 S S106 1 0.333710 0.666629 0.610624 1 S S107 1 0.417488 0.792033 0.610969 1 S S108 1 0.500000 0.917290 0.611091 1 S S109 1 0.083656 0.042043 0.610673 1 S S110 1 0.166900 0.166702 0.610896 1 S S111 1 0.250323 0.291283 0.610878 1 S S112 1 0.333578 0.416383 0.610847 1 S S113 1 0.416745 0.541483 0.610712 1 S S114 1 0.500000 0.666550 0.610853 1 S S115 1 0.582512 0.792033 0.610969 1 S S116 1 0.665462 0.917568 0.610783 1 S S117 1 0.250981 0.042656 0.611020 1 S S118 1 0.333749 0.166997 0.610930 1 S S119 1 0.416827 0.291740 0.610902 1 S S120 1 0.500000 0.416574 0.610847 1 S S121 1 0.583255 0.541483 0.610712 1 S S122 1 0.666290 0.666629 0.610624 1 S S123 1 0.746855 0.792952 0.612086 1 S S124 1 0.830502 0.918768 0.612032 1 S S125 1 0.417082 0.042305 0.610999 1 S S126 1 0.500000 0.167038 0.610959 1 S S127 1 0.583173 0.291740 0.610902 1 S S128 1 0.666422 0.416383 0.610847 1 S S129 1 0.749749 0.541162 0.610644 1 S S130 1 0.833503 0.666683 0.609312 1 S S131 1 0.912796 0.793807 0.607478 1 S S132 1 0.000000 0.916722 0.609370 1 S S133 1 0.582918 0.042305 0.610999 1 S S134 1 0.666251 0.166997 0.610930 1 S S135 1 0.749677 0.291283 0.610878 1 S S136 1 0.832846 0.415376 0.610951 1 S S137 1 0.916124 0.538352 0.611983 1 S S138 1 -0.000000 0.662421 0.607540 1 S S139 1 0.749019 0.042656 0.611020 1 S S140 1 0.833100 0.166702 0.610896 1 S S141 1 0.916515 0.290975 0.610918 1 S S142 1 -0.000000 0.415078 0.610748 1 S S143 1 0.916344 0.042043 0.610673 1 S S144 1 0.000000 0.166519 0.610760 1