# 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 0.749836 0.500000 1 W W2 1 0.085674 0.877288 0.499999 1 W W3 1 0.000000 0.498154 0.499998 1 W W4 1 0.084433 0.622031 0.499999 1 W W5 1 0.170011 0.750667 0.499999 1 W W6 1 0.251505 0.875958 0.499998 1 W W7 1 0.000000 0.249064 0.499999 1 W W8 1 0.083371 0.373711 0.499998 1 W W9 1 0.166339 0.498703 0.499998 1 W W10 1 0.249777 0.625151 0.499998 1 W W11 1 0.334148 0.750981 0.499999 1 W W12 1 0.417240 0.875846 0.499999 1 W W13 1 -0.000000 -0.000357 0.499999 1 W W14 1 0.083545 0.124577 0.499999 1 W W15 1 0.166835 0.249349 0.499999 1 W W16 1 0.250130 0.374431 0.499999 1 W W17 1 0.333273 0.499935 0.499999 1 W W18 1 0.416713 0.625329 0.499999 1 W W19 1 0.500000 0.750555 0.499999 1 W W20 1 0.582760 0.875846 0.500000 1 W W21 1 0.168010 0.000278 0.499999 1 W W22 1 0.250476 0.125170 0.499999 1 W W23 1 0.333539 0.250000 0.500000 1 W W24 1 0.416673 0.375105 0.499999 1 W W25 1 0.500000 0.500237 0.500000 1 W W26 1 0.583287 0.625329 0.500000 1 W W27 1 0.665852 0.750981 0.500000 1 W W28 1 0.748495 0.875958 0.500000 1 W W29 1 0.334162 0.000714 0.499999 1 W W30 1 0.416941 0.125502 0.500000 1 W W31 1 0.500000 0.250270 0.500000 1 W W32 1 0.583327 0.375105 0.500000 1 W W33 1 0.666727 0.499935 0.500000 1 W W34 1 0.750223 0.625151 0.500000 1 W W35 1 0.829990 0.750667 0.500000 1 W W36 1 0.914326 0.877288 0.500000 1 W W37 1 0.500000 0.000713 0.500000 1 W W38 1 0.583059 0.125502 0.500000 1 W W39 1 0.666461 0.250000 0.500000 1 W W40 1 0.749870 0.374431 0.499999 1 W W41 1 0.833661 0.498703 0.499999 1 W W42 1 0.915567 0.622031 0.499999 1 W W43 1 0.665838 0.000715 0.500000 1 W W44 1 0.749524 0.125169 0.500001 1 W W45 1 0.833165 0.249349 0.500000 1 W W46 1 0.916629 0.373711 0.499999 1 W W47 1 0.831990 0.000278 0.500000 1 W W48 1 0.916455 0.124577 0.500000 1 S S49 1 0.088383 0.794267 0.386915 1 S S50 1 0.168491 0.917584 0.388558 1 S S51 1 0.083291 0.539677 0.388680 1 S S52 1 0.166244 0.666891 0.390167 1 S S53 1 0.251700 0.792738 0.388619 1 S S54 1 0.334354 0.917559 0.388953 1 S S55 1 0.083387 0.290617 0.389204 1 S S56 1 0.166649 0.415646 0.389258 1 S S57 1 0.249733 0.541529 0.389573 1 S S58 1 0.333289 0.667048 0.389528 1 S S59 1 0.417106 0.792397 0.389166 1 S S60 1 0.500000 0.917518 0.389011 1 S S61 1 0.083607 0.041279 0.389437 1 S S62 1 0.166838 0.166212 0.389224 1 S S63 1 0.250093 0.291244 0.389248 1 S S64 1 0.333270 0.416623 0.389349 1 S S65 1 0.416562 0.541914 0.389443 1 S S66 1 0.500000 0.667052 0.389362 1 S S67 1 0.582893 0.792397 0.389165 1 S S68 1 0.665646 0.917559 0.388953 1 S S69 1 0.250781 0.042075 0.389118 1 S S70 1 0.333610 0.166886 0.389167 1 S S71 1 0.416715 0.291872 0.389257 1 S S72 1 0.500000 0.416883 0.389360 1 S S73 1 0.583438 0.541914 0.389443 1 S S74 1 0.666711 0.667048 0.389527 1 S S75 1 0.748300 0.792738 0.388618 1 S S76 1 0.831509 0.917584 0.388557 1 S S77 1 0.417023 0.042374 0.389054 1 S S78 1 0.500000 0.167145 0.389108 1 S S79 1 0.583285 0.291872 0.389257 1 S S80 1 0.666730 0.416623 0.389348 1 S S81 1 0.750267 0.541529 0.389572 1 S S82 1 0.833756 0.666891 0.390167 1 S S83 1 0.911618 0.794267 0.386914 1 S S84 1 0.000000 0.916191 0.390132 1 S S85 1 0.582977 0.042374 0.389054 1 S S86 1 0.666390 0.166886 0.389167 1 S S87 1 0.749907 0.291243 0.389247 1 S S88 1 0.833351 0.415646 0.389258 1 S S89 1 0.916710 0.539677 0.388680 1 S S90 1 0.000000 0.661455 0.386929 1 S S91 1 0.749219 0.042075 0.389118 1 S S92 1 0.833162 0.166211 0.389224 1 S S93 1 0.916613 0.290617 0.389204 1 S S94 1 0.000000 0.415081 0.389088 1 S S95 1 0.916393 0.041279 0.389436 1 S S96 1 -0.000000 0.165865 0.389308 1 S S97 1 0.088382 0.794267 0.613086 1 S S98 1 0.168491 0.917584 0.611444 1 S S99 1 0.083290 0.539677 0.611321 1 S S100 1 0.166244 0.666891 0.609834 1 S S101 1 0.251700 0.792738 0.611382 1 S S102 1 0.334354 0.917559 0.611048 1 S S103 1 0.083387 0.290617 0.610797 1 S S104 1 0.166648 0.415646 0.610742 1 S S105 1 0.249733 0.541529 0.610429 1 S S106 1 0.333289 0.667048 0.610474 1 S S107 1 0.417107 0.792397 0.610835 1 S S108 1 0.500000 0.917518 0.610989 1 S S109 1 0.083607 0.041279 0.610564 1 S S110 1 0.166838 0.166212 0.610776 1 S S111 1 0.250093 0.291243 0.610753 1 S S112 1 0.333270 0.416623 0.610653 1 S S113 1 0.416563 0.541914 0.610558 1 S S114 1 0.500000 0.667052 0.610639 1 S S115 1 0.582894 0.792397 0.610835 1 S S116 1 0.665646 0.917559 0.611048 1 S S117 1 0.250781 0.042075 0.610882 1 S S118 1 0.333610 0.166886 0.610833 1 S S119 1 0.416715 0.291872 0.610743 1 S S120 1 0.500000 0.416883 0.610640 1 S S121 1 0.583438 0.541914 0.610557 1 S S122 1 0.666711 0.667048 0.610473 1 S S123 1 0.748300 0.792738 0.611382 1 S S124 1 0.831509 0.917584 0.611443 1 S S125 1 0.417023 0.042374 0.610946 1 S S126 1 0.500000 0.167145 0.610892 1 S S127 1 0.583285 0.291872 0.610743 1 S S128 1 0.666730 0.416623 0.610652 1 S S129 1 0.750267 0.541529 0.610428 1 S S130 1 0.833756 0.666891 0.609834 1 S S131 1 0.911618 0.794267 0.613086 1 S S132 1 -0.000000 0.916191 0.609869 1 S S133 1 0.582977 0.042374 0.610946 1 S S134 1 0.666389 0.166886 0.610833 1 S S135 1 0.749907 0.291243 0.610753 1 S S136 1 0.833351 0.415646 0.610743 1 S S137 1 0.916709 0.539677 0.611321 1 S S138 1 0.000000 0.661455 0.613072 1 S S139 1 0.749219 0.042075 0.610882 1 S S140 1 0.833162 0.166212 0.610776 1 S S141 1 0.916613 0.290617 0.610797 1 S S142 1 -0.000000 0.415081 0.610913 1 S S143 1 0.916393 0.041279 0.610564 1 S S144 1 -0.000000 0.165865 0.610693 1