# 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 0.749721 0.500000 1 W W2 1 0.087565 0.878855 0.500000 1 W W3 1 -0.000000 0.497007 0.500000 1 W W4 1 0.085012 0.619721 0.500000 1 W W5 1 0.172451 0.751314 0.500000 1 W W6 1 0.252487 0.876562 0.500000 1 W W7 1 -0.000000 0.249050 0.500000 1 W W8 1 0.083646 0.373249 0.500000 1 W W9 1 0.167029 0.497614 0.500000 1 W W10 1 0.250166 0.624838 0.500000 1 W W11 1 0.335230 0.750967 0.500000 1 W W12 1 0.417601 0.875961 0.500000 1 W W13 1 -0.000000 0.000149 0.500000 1 W W14 1 0.083611 0.124861 0.500000 1 W W15 1 0.167035 0.249357 0.500000 1 W W16 1 0.250443 0.374074 0.500000 1 W W17 1 0.333511 0.499672 0.500000 1 W W18 1 0.416826 0.625066 0.500000 1 W W19 1 0.500000 0.750512 0.500000 1 W W20 1 0.582399 0.875961 0.499999 1 W W21 1 0.168702 0.001349 0.500000 1 W W22 1 0.250806 0.125572 0.500000 1 W W23 1 0.333775 0.250064 0.500000 1 W W24 1 0.416808 0.374981 0.500000 1 W W25 1 0.500000 0.500003 0.500000 1 W W26 1 0.583174 0.625066 0.500000 1 W W27 1 0.664771 0.750966 0.499999 1 W W28 1 0.747513 0.876562 0.499999 1 W W29 1 0.334467 0.001232 0.500000 1 W W30 1 0.417064 0.125739 0.500000 1 W W31 1 0.500000 0.250369 0.500000 1 W W32 1 0.583192 0.374981 0.500000 1 W W33 1 0.666489 0.499672 0.500000 1 W W34 1 0.749834 0.624838 0.500000 1 W W35 1 0.827549 0.751314 0.500000 1 W W36 1 0.912435 0.878855 0.500000 1 W W37 1 0.500000 0.000996 0.500000 1 W W38 1 0.582936 0.125739 0.500000 1 W W39 1 0.666225 0.250064 0.500000 1 W W40 1 0.749557 0.374074 0.500000 1 W W41 1 0.832971 0.497614 0.500000 1 W W42 1 0.914987 0.619721 0.500000 1 W W43 1 0.665533 0.001232 0.500000 1 W W44 1 0.749194 0.125572 0.500000 1 W W45 1 0.832965 0.249357 0.500000 1 W W46 1 0.916354 0.373249 0.500000 1 W W47 1 0.831298 0.001349 0.500000 1 W W48 1 0.916389 0.124861 0.500000 1 S S49 1 0.092893 0.796569 0.386568 1 S S50 1 0.169985 0.919104 0.388403 1 S S51 1 0.083976 0.537686 0.388525 1 S S52 1 0.166566 0.666639 0.390723 1 S S53 1 0.253750 0.793230 0.388432 1 S S54 1 0.334992 0.918035 0.388935 1 S S55 1 0.083494 0.290394 0.389108 1 S S56 1 0.167071 0.414877 0.389038 1 S S57 1 0.250074 0.541141 0.389585 1 S S58 1 0.333634 0.666867 0.389554 1 S S59 1 0.417672 0.792505 0.388963 1 S S60 1 0.500000 0.917797 0.388908 1 S S61 1 0.083748 0.041730 0.389463 1 S S62 1 0.166993 0.166389 0.389159 1 S S63 1 0.250356 0.291082 0.389120 1 S S64 1 0.333497 0.416409 0.389268 1 S S65 1 0.416682 0.541663 0.389360 1 S S66 1 0.500000 0.666836 0.389356 1 S S67 1 0.582328 0.792505 0.388963 1 S S68 1 0.665008 0.918035 0.388935 1 S S69 1 0.251344 0.042789 0.388903 1 S S70 1 0.333873 0.167122 0.389020 1 S S71 1 0.416840 0.291889 0.389098 1 S S72 1 0.500000 0.416750 0.389225 1 S S73 1 0.583318 0.541663 0.389360 1 S S74 1 0.666366 0.666867 0.389554 1 S S75 1 0.746250 0.793230 0.388432 1 S S76 1 0.830015 0.919104 0.388403 1 S S77 1 0.417220 0.042707 0.388930 1 S S78 1 0.500000 0.167351 0.388981 1 S S79 1 0.583160 0.291889 0.389099 1 S S80 1 0.666503 0.416409 0.389269 1 S S81 1 0.749926 0.541141 0.389586 1 S S82 1 0.833434 0.666639 0.390723 1 S S83 1 0.907107 0.796569 0.386569 1 S S84 1 -0.000000 0.916606 0.390670 1 S S85 1 0.582780 0.042707 0.388930 1 S S86 1 0.666127 0.167122 0.389020 1 S S87 1 0.749644 0.291082 0.389120 1 S S88 1 0.832929 0.414877 0.389038 1 S S89 1 0.916024 0.537686 0.388525 1 S S90 1 -0.000000 0.656778 0.386555 1 S S91 1 0.748656 0.042789 0.388903 1 S S92 1 0.833007 0.166389 0.389159 1 S S93 1 0.916506 0.290394 0.389108 1 S S94 1 -0.000000 0.414276 0.389084 1 S S95 1 0.916252 0.041730 0.389463 1 S S96 1 -0.000000 0.166020 0.389237 1 S S97 1 0.092893 0.796569 0.613431 1 S S98 1 0.169985 0.919104 0.611597 1 S S99 1 0.083976 0.537686 0.611475 1 S S100 1 0.166566 0.666639 0.609277 1 S S101 1 0.253750 0.793230 0.611568 1 S S102 1 0.334992 0.918035 0.611065 1 S S103 1 0.083494 0.290394 0.610892 1 S S104 1 0.167071 0.414877 0.610961 1 S S105 1 0.250074 0.541141 0.610414 1 S S106 1 0.333634 0.666867 0.610446 1 S S107 1 0.417672 0.792505 0.611037 1 S S108 1 0.500000 0.917797 0.611093 1 S S109 1 0.083748 0.041730 0.610537 1 S S110 1 0.166993 0.166389 0.610841 1 S S111 1 0.250356 0.291082 0.610880 1 S S112 1 0.333497 0.416409 0.610731 1 S S113 1 0.416682 0.541663 0.610640 1 S S114 1 0.500000 0.666836 0.610644 1 S S115 1 0.582328 0.792505 0.611037 1 S S116 1 0.665008 0.918035 0.611066 1 S S117 1 0.251344 0.042789 0.611097 1 S S118 1 0.333873 0.167122 0.610980 1 S S119 1 0.416840 0.291889 0.610901 1 S S120 1 0.500000 0.416750 0.610774 1 S S121 1 0.583318 0.541663 0.610640 1 S S122 1 0.666366 0.666867 0.610446 1 S S123 1 0.746250 0.793230 0.611568 1 S S124 1 0.830015 0.919104 0.611597 1 S S125 1 0.417220 0.042707 0.611070 1 S S126 1 0.500000 0.167351 0.611019 1 S S127 1 0.583160 0.291889 0.610901 1 S S128 1 0.666503 0.416409 0.610731 1 S S129 1 0.749926 0.541141 0.610414 1 S S130 1 0.833434 0.666639 0.609277 1 S S131 1 0.907107 0.796569 0.613432 1 S S132 1 0.000000 0.916606 0.609330 1 S S133 1 0.582780 0.042707 0.611070 1 S S134 1 0.666127 0.167122 0.610980 1 S S135 1 0.749644 0.291082 0.610880 1 S S136 1 0.832929 0.414877 0.610961 1 S S137 1 0.916024 0.537686 0.611475 1 S S138 1 -0.000000 0.656778 0.613445 1 S S139 1 0.748656 0.042789 0.611097 1 S S140 1 0.833007 0.166389 0.610841 1 S S141 1 0.916506 0.290394 0.610892 1 S S142 1 0.000000 0.414276 0.610915 1 S S143 1 0.916252 0.041730 0.610537 1 S S144 1 0.000000 0.166020 0.610763 1