# generated using pymatgen data_AsW47S96 _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 AsW47S96 _chemical_formula_sum 'As1 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 As As1 1 0.000000 0.749891 0.500000 1 W W2 1 0.085401 0.877358 0.500000 1 W W3 1 -0.000000 0.498235 0.499999 1 W W4 1 0.084715 0.622205 0.500000 1 W W5 1 0.170016 0.750359 0.500000 1 W W6 1 0.251591 0.875813 0.500001 1 W W7 1 -0.000000 0.249240 0.500000 1 W W8 1 0.082909 0.374381 0.499999 1 W W9 1 0.166173 0.498978 0.499999 1 W W10 1 0.249363 0.625352 0.500000 1 W W11 1 0.333993 0.750879 0.500001 1 W W12 1 0.416816 0.875611 0.500001 1 W W13 1 0.000000 -0.000760 0.500000 1 W W14 1 0.084190 0.124666 0.500000 1 W W15 1 0.166996 0.248960 0.500000 1 W W16 1 0.250690 0.374941 0.500000 1 W W17 1 0.333018 0.499704 0.500000 1 W W18 1 0.416922 0.625525 0.500000 1 W W19 1 0.500000 0.750092 0.500001 1 W W20 1 0.583184 0.875611 0.500001 1 W W21 1 0.167916 0.000060 0.500000 1 W W22 1 0.249737 0.125339 0.500000 1 W W23 1 0.333459 0.250071 0.500000 1 W W24 1 0.415431 0.375353 0.500000 1 W W25 1 0.500000 0.500309 0.500000 1 W W26 1 0.583078 0.625525 0.500000 1 W W27 1 0.666007 0.750879 0.500000 1 W W28 1 0.748409 0.875813 0.500000 1 W W29 1 0.333767 0.000009 0.500001 1 W W30 1 0.417585 0.125987 0.500000 1 W W31 1 0.500000 0.249452 0.500000 1 W W32 1 0.584569 0.375353 0.500000 1 W W33 1 0.666982 0.499704 0.500000 1 W W34 1 0.750637 0.625352 0.500000 1 W W35 1 0.829984 0.750359 0.500000 1 W W36 1 0.914599 0.877358 0.500000 1 W W37 1 0.500000 0.000488 0.500001 1 W W38 1 0.582415 0.125987 0.500000 1 W W39 1 0.666541 0.250071 0.500000 1 W W40 1 0.749310 0.374941 0.499999 1 W W41 1 0.833827 0.498978 0.499999 1 W W42 1 0.915285 0.622205 0.500000 1 W W43 1 0.666233 0.000009 0.500000 1 W W44 1 0.750263 0.125339 0.500000 1 W W45 1 0.833004 0.248960 0.500000 1 W W46 1 0.917091 0.374381 0.499999 1 W W47 1 0.832084 0.000060 0.500000 1 W W48 1 0.915810 0.124666 0.500000 1 S S49 1 0.088302 0.794182 0.387047 1 S S50 1 0.168412 0.917416 0.388661 1 S S51 1 0.083229 0.539897 0.388712 1 S S52 1 0.166161 0.666926 0.389898 1 S S53 1 0.251553 0.792595 0.388664 1 S S54 1 0.334224 0.917208 0.388852 1 S S55 1 0.083478 0.290886 0.389669 1 S S56 1 0.166699 0.415752 0.389537 1 S S57 1 0.249615 0.541713 0.389731 1 S S58 1 0.333168 0.666943 0.389683 1 S S59 1 0.417133 0.792163 0.389335 1 S S60 1 0.500000 0.917263 0.389298 1 S S61 1 0.083518 0.041191 0.389671 1 S S62 1 0.166788 0.166308 0.388876 1 S S63 1 0.250042 0.291461 0.389491 1 S S64 1 0.333049 0.416951 0.388841 1 S S65 1 0.416472 0.541911 0.389720 1 S S66 1 0.500000 0.666943 0.389205 1 S S67 1 0.582867 0.792163 0.389335 1 S S68 1 0.665776 0.917208 0.388852 1 S S69 1 0.250756 0.042038 0.389393 1 S S70 1 0.333445 0.166799 0.389476 1 S S71 1 0.416831 0.291868 0.389610 1 S S72 1 0.500000 0.416594 0.390136 1 S S73 1 0.583528 0.541911 0.389720 1 S S74 1 0.666832 0.666943 0.389683 1 S S75 1 0.748447 0.792595 0.388664 1 S S76 1 0.831588 0.917416 0.388661 1 S S77 1 0.416804 0.042337 0.389645 1 S S78 1 0.500000 0.167091 0.388503 1 S S79 1 0.583169 0.291868 0.389610 1 S S80 1 0.666951 0.416951 0.388841 1 S S81 1 0.750385 0.541714 0.389731 1 S S82 1 0.833839 0.666926 0.389898 1 S S83 1 0.911698 0.794182 0.387047 1 S S84 1 -0.000000 0.916094 0.389902 1 S S85 1 0.583196 0.042337 0.389645 1 S S86 1 0.666555 0.166799 0.389476 1 S S87 1 0.749958 0.291461 0.389491 1 S S88 1 0.833301 0.415752 0.389537 1 S S89 1 0.916771 0.539897 0.388712 1 S S90 1 0.000000 0.661594 0.387117 1 S S91 1 0.749244 0.042038 0.389393 1 S S92 1 0.833212 0.166308 0.388876 1 S S93 1 0.916521 0.290886 0.389669 1 S S94 1 -0.000000 0.415504 0.388861 1 S S95 1 0.916482 0.041191 0.389671 1 S S96 1 -0.000000 0.165814 0.389782 1 S S97 1 0.088302 0.794182 0.612953 1 S S98 1 0.168412 0.917416 0.611339 1 S S99 1 0.083229 0.539897 0.611289 1 S S100 1 0.166161 0.666926 0.610102 1 S S101 1 0.251553 0.792595 0.611335 1 S S102 1 0.334224 0.917208 0.611147 1 S S103 1 0.083479 0.290886 0.610332 1 S S104 1 0.166699 0.415752 0.610463 1 S S105 1 0.249615 0.541714 0.610269 1 S S106 1 0.333168 0.666943 0.610317 1 S S107 1 0.417133 0.792163 0.610664 1 S S108 1 0.500000 0.917263 0.610702 1 S S109 1 0.083518 0.041191 0.610329 1 S S110 1 0.166788 0.166308 0.611124 1 S S111 1 0.250042 0.291461 0.610509 1 S S112 1 0.333049 0.416951 0.611159 1 S S113 1 0.416472 0.541911 0.610280 1 S S114 1 0.500000 0.666943 0.610794 1 S S115 1 0.582867 0.792163 0.610664 1 S S116 1 0.665776 0.917208 0.611148 1 S S117 1 0.250756 0.042038 0.610607 1 S S118 1 0.333445 0.166799 0.610524 1 S S119 1 0.416831 0.291868 0.610390 1 S S120 1 0.500000 0.416594 0.609864 1 S S121 1 0.583528 0.541911 0.610280 1 S S122 1 0.666832 0.666943 0.610317 1 S S123 1 0.748447 0.792595 0.611335 1 S S124 1 0.831588 0.917416 0.611339 1 S S125 1 0.416804 0.042337 0.610354 1 S S126 1 0.500000 0.167091 0.611498 1 S S127 1 0.583169 0.291868 0.610390 1 S S128 1 0.666951 0.416951 0.611159 1 S S129 1 0.750385 0.541714 0.610269 1 S S130 1 0.833839 0.666926 0.610102 1 S S131 1 0.911698 0.794182 0.612953 1 S S132 1 0.000000 0.916094 0.610098 1 S S133 1 0.583196 0.042337 0.610354 1 S S134 1 0.666555 0.166799 0.610524 1 S S135 1 0.749958 0.291461 0.610509 1 S S136 1 0.833301 0.415752 0.610463 1 S S137 1 0.916771 0.539897 0.611289 1 S S138 1 -0.000000 0.661594 0.612883 1 S S139 1 0.749244 0.042038 0.610607 1 S S140 1 0.833212 0.166308 0.611124 1 S S141 1 0.916521 0.290886 0.610332 1 S S142 1 0.000000 0.415504 0.611140 1 S S143 1 0.916482 0.041191 0.610329 1 S S144 1 0.000000 0.165814 0.610218 1