# 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 0.749878 0.500000 1 W W2 1 0.086822 0.878134 0.500000 1 W W3 1 0.000000 0.497678 0.500000 1 W W4 1 0.084679 0.620758 0.500000 1 W W5 1 0.171387 0.751084 0.500000 1 W W6 1 0.252008 0.876221 0.500000 1 W W7 1 -0.000000 0.249358 0.500000 1 W W8 1 0.083620 0.373696 0.500000 1 W W9 1 0.167083 0.498096 0.500000 1 W W10 1 0.250147 0.624849 0.500000 1 W W11 1 0.334955 0.750642 0.500000 1 W W12 1 0.417423 0.875648 0.500000 1 W W13 1 0.000000 0.000155 0.500000 1 W W14 1 0.083532 0.124987 0.500000 1 W W15 1 0.166955 0.249556 0.500000 1 W W16 1 0.250387 0.374287 0.500000 1 W W17 1 0.333520 0.499712 0.500001 1 W W18 1 0.416808 0.624966 0.500000 1 W W19 1 0.500000 0.750294 0.500000 1 W W20 1 0.582577 0.875648 0.500000 1 W W21 1 0.168276 0.001210 0.500000 1 W W22 1 0.250624 0.125485 0.500000 1 W W23 1 0.333696 0.250045 0.500000 1 W W24 1 0.416802 0.374950 0.500000 1 W W25 1 0.500000 0.499930 0.500001 1 W W26 1 0.583192 0.624966 0.500000 1 W W27 1 0.665045 0.750642 0.500000 1 W W28 1 0.747992 0.876221 0.500000 1 W W29 1 0.334210 0.000972 0.500000 1 W W30 1 0.416981 0.125531 0.500000 1 W W31 1 0.500000 0.250258 0.500000 1 W W32 1 0.583198 0.374950 0.500000 1 W W33 1 0.666480 0.499712 0.500000 1 W W34 1 0.749853 0.624849 0.500000 1 W W35 1 0.828613 0.751084 0.500000 1 W W36 1 0.913178 0.878134 0.500000 1 W W37 1 0.500000 0.000703 0.500000 1 W W38 1 0.583019 0.125531 0.500000 1 W W39 1 0.666304 0.250045 0.500000 1 W W40 1 0.749613 0.374287 0.500000 1 W W41 1 0.832917 0.498096 0.500000 1 W W42 1 0.915321 0.620758 0.500000 1 W W43 1 0.665790 0.000972 0.500000 1 W W44 1 0.749376 0.125485 0.500000 1 W W45 1 0.833045 0.249556 0.500000 1 W W46 1 0.916380 0.373696 0.500000 1 W W47 1 0.831724 0.001210 0.500000 1 W W48 1 0.916468 0.124987 0.500000 1 S S49 1 0.088517 0.794348 0.391873 1 S S50 1 0.169479 0.918745 0.388574 1 S S51 1 0.083904 0.538400 0.388661 1 S S52 1 0.166628 0.666647 0.390322 1 S S53 1 0.253180 0.792932 0.388562 1 S S54 1 0.334717 0.917733 0.389052 1 S S55 1 0.083473 0.290743 0.389111 1 S S56 1 0.167069 0.415232 0.389027 1 S S57 1 0.250138 0.541214 0.389476 1 S S58 1 0.333642 0.666747 0.389446 1 S S59 1 0.417532 0.792223 0.388938 1 S S60 1 0.500000 0.917470 0.388931 1 S S61 1 0.083660 0.041829 0.389407 1 S S62 1 0.166914 0.166522 0.389154 1 S S63 1 0.250312 0.291218 0.389129 1 S S64 1 0.333506 0.416432 0.389230 1 S S65 1 0.416711 0.541587 0.389293 1 S S66 1 0.500000 0.666709 0.389289 1 S S67 1 0.582468 0.792223 0.388938 1 S S68 1 0.665283 0.917733 0.389052 1 S S69 1 0.251088 0.042641 0.388926 1 S S70 1 0.333772 0.167028 0.389058 1 S S71 1 0.416821 0.291804 0.389116 1 S S72 1 0.500000 0.416670 0.389206 1 S S73 1 0.583289 0.541587 0.389293 1 S S74 1 0.666358 0.666747 0.389446 1 S S75 1 0.746820 0.792932 0.388562 1 S S76 1 0.830521 0.918745 0.388574 1 S S77 1 0.417118 0.042441 0.388976 1 S S78 1 0.500000 0.167157 0.389034 1 S S79 1 0.583179 0.291804 0.389116 1 S S80 1 0.666494 0.416432 0.389230 1 S S81 1 0.749862 0.541214 0.389476 1 S S82 1 0.833372 0.666647 0.390322 1 S S83 1 0.911483 0.794348 0.391873 1 S S84 1 0.000000 0.916648 0.390310 1 S S85 1 0.582882 0.042441 0.388976 1 S S86 1 0.666228 0.167028 0.389058 1 S S87 1 0.749688 0.291218 0.389129 1 S S88 1 0.832931 0.415232 0.389027 1 S S89 1 0.916096 0.538400 0.388661 1 S S90 1 0.000000 0.661372 0.391906 1 S S91 1 0.748912 0.042641 0.388926 1 S S92 1 0.833086 0.166522 0.389154 1 S S93 1 0.916527 0.290743 0.389111 1 S S94 1 0.000000 0.414811 0.389138 1 S S95 1 0.916340 0.041829 0.389407 1 S S96 1 0.000000 0.166284 0.389209 1 S S97 1 0.088517 0.794348 0.608127 1 S S98 1 0.169479 0.918745 0.611426 1 S S99 1 0.083904 0.538400 0.611339 1 S S100 1 0.166628 0.666647 0.609678 1 S S101 1 0.253180 0.792932 0.611438 1 S S102 1 0.334717 0.917733 0.610948 1 S S103 1 0.083473 0.290743 0.610889 1 S S104 1 0.167069 0.415232 0.610973 1 S S105 1 0.250138 0.541214 0.610524 1 S S106 1 0.333642 0.666747 0.610554 1 S S107 1 0.417532 0.792223 0.611062 1 S S108 1 0.500000 0.917470 0.611069 1 S S109 1 0.083660 0.041829 0.610593 1 S S110 1 0.166914 0.166522 0.610846 1 S S111 1 0.250312 0.291218 0.610871 1 S S112 1 0.333506 0.416432 0.610769 1 S S113 1 0.416711 0.541587 0.610707 1 S S114 1 0.500000 0.666709 0.610710 1 S S115 1 0.582468 0.792223 0.611062 1 S S116 1 0.665283 0.917733 0.610948 1 S S117 1 0.251088 0.042641 0.611074 1 S S118 1 0.333772 0.167028 0.610942 1 S S119 1 0.416821 0.291804 0.610883 1 S S120 1 0.500000 0.416670 0.610794 1 S S121 1 0.583289 0.541587 0.610707 1 S S122 1 0.666358 0.666747 0.610554 1 S S123 1 0.746820 0.792932 0.611438 1 S S124 1 0.830521 0.918745 0.611426 1 S S125 1 0.417118 0.042441 0.611024 1 S S126 1 0.500000 0.167157 0.610966 1 S S127 1 0.583179 0.291804 0.610883 1 S S128 1 0.666494 0.416432 0.610769 1 S S129 1 0.749862 0.541214 0.610524 1 S S130 1 0.833372 0.666647 0.609678 1 S S131 1 0.911483 0.794348 0.608127 1 S S132 1 -0.000000 0.916648 0.609690 1 S S133 1 0.582882 0.042441 0.611024 1 S S134 1 0.666228 0.167028 0.610942 1 S S135 1 0.749688 0.291218 0.610871 1 S S136 1 0.832931 0.415232 0.610973 1 S S137 1 0.916096 0.538400 0.611339 1 S S138 1 0.000000 0.661372 0.608094 1 S S139 1 0.748912 0.042641 0.611074 1 S S140 1 0.833086 0.166522 0.610846 1 S S141 1 0.916527 0.290743 0.610889 1 S S142 1 0.000000 0.414811 0.610862 1 S S143 1 0.916340 0.041829 0.610593 1 S S144 1 -0.000000 0.166284 0.610791 1