# generated using pymatgen data_AgW47S96 _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 AgW47S96 _chemical_formula_sum 'Ag1 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 Ag Ag1 1 0.000000 0.749462 0.499997 1 W W2 1 0.087660 0.876305 0.499998 1 W W3 1 -0.000000 0.496940 0.499998 1 W W4 1 0.082237 0.620833 0.499999 1 W W5 1 0.169702 0.752776 0.499999 1 W W6 1 0.252486 0.876506 0.499996 1 W W7 1 -0.000000 0.249093 0.499997 1 W W8 1 0.083482 0.373457 0.499999 1 W W9 1 0.167531 0.497961 0.500000 1 W W10 1 0.249572 0.625093 0.499998 1 W W11 1 0.335171 0.750320 0.499996 1 W W12 1 0.417383 0.875818 0.499995 1 W W13 1 -0.000000 -0.000369 0.499996 1 W W14 1 0.083474 0.124664 0.499997 1 W W15 1 0.166924 0.249415 0.500000 1 W W16 1 0.250372 0.374206 0.500000 1 W W17 1 0.333309 0.499939 0.500000 1 W W18 1 0.416613 0.625084 0.499997 1 W W19 1 0.500000 0.750325 0.499994 1 W W20 1 0.582616 0.875818 0.499992 1 W W21 1 0.168041 0.001560 0.499997 1 W W22 1 0.250683 0.125563 0.499999 1 W W23 1 0.333676 0.250141 0.500000 1 W W24 1 0.416737 0.375174 0.500000 1 W W25 1 0.500000 0.500091 0.499998 1 W W26 1 0.583387 0.625084 0.499996 1 W W27 1 0.664829 0.750320 0.499993 1 W W28 1 0.747514 0.876506 0.499991 1 W W29 1 0.334311 0.000969 0.499996 1 W W30 1 0.416964 0.125696 0.499997 1 W W31 1 0.500000 0.250489 0.499998 1 W W32 1 0.583263 0.375174 0.499997 1 W W33 1 0.666691 0.499939 0.499996 1 W W34 1 0.750428 0.625093 0.499995 1 W W35 1 0.830298 0.752776 0.499997 1 W W36 1 0.912340 0.876305 0.499996 1 W W37 1 0.500000 0.000881 0.499993 1 W W38 1 0.583037 0.125696 0.499995 1 W W39 1 0.666324 0.250141 0.499995 1 W W40 1 0.749628 0.374206 0.499995 1 W W41 1 0.832469 0.497961 0.499997 1 W W42 1 0.917763 0.620833 0.499999 1 W W43 1 0.665689 0.000969 0.499990 1 W W44 1 0.749317 0.125563 0.499991 1 W W45 1 0.833076 0.249415 0.499995 1 W W46 1 0.916518 0.373456 0.499997 1 W W47 1 0.831959 0.001560 0.499991 1 W W48 1 0.916526 0.124664 0.499994 1 S S49 1 0.093682 0.797036 0.384815 1 S S50 1 0.169585 0.919084 0.389143 1 S S51 1 0.084158 0.537914 0.389230 1 S S52 1 0.165096 0.667343 0.391091 1 S S53 1 0.253499 0.792844 0.389256 1 S S54 1 0.334860 0.917871 0.388776 1 S S55 1 0.083437 0.290497 0.389107 1 S S56 1 0.167020 0.415069 0.389081 1 S S57 1 0.249975 0.541595 0.389300 1 S S58 1 0.333163 0.666640 0.389301 1 S S59 1 0.417557 0.792295 0.389006 1 S S60 1 0.500000 0.917610 0.388996 1 S S61 1 0.083322 0.041495 0.389194 1 S S62 1 0.166849 0.166359 0.389173 1 S S63 1 0.250234 0.291168 0.389103 1 S S64 1 0.333376 0.416611 0.389253 1 S S65 1 0.416642 0.541718 0.389326 1 S S66 1 0.500000 0.666740 0.389326 1 S S67 1 0.582443 0.792296 0.389007 1 S S68 1 0.665141 0.917871 0.388779 1 S S69 1 0.251121 0.042700 0.388997 1 S S70 1 0.333787 0.167149 0.389024 1 S S71 1 0.416778 0.292022 0.389141 1 S S72 1 0.500000 0.416861 0.389215 1 S S73 1 0.583358 0.541719 0.389326 1 S S74 1 0.666837 0.666640 0.389302 1 S S75 1 0.746501 0.792844 0.389257 1 S S76 1 0.830414 0.919084 0.389145 1 S S77 1 0.417126 0.042598 0.388981 1 S S78 1 0.500000 0.167369 0.389084 1 S S79 1 0.583222 0.292022 0.389142 1 S S80 1 0.666625 0.416611 0.389254 1 S S81 1 0.750025 0.541594 0.389301 1 S S82 1 0.834904 0.667343 0.391091 1 S S83 1 0.906318 0.797036 0.384815 1 S S84 1 -0.000000 0.915276 0.390977 1 S S85 1 0.582874 0.042598 0.388983 1 S S86 1 0.666214 0.167149 0.389026 1 S S87 1 0.749766 0.291168 0.389105 1 S S88 1 0.832980 0.415069 0.389083 1 S S89 1 0.915842 0.537914 0.389230 1 S S90 1 0.000000 0.655769 0.384865 1 S S91 1 0.748879 0.042700 0.389000 1 S S92 1 0.833151 0.166359 0.389175 1 S S93 1 0.916563 0.290497 0.389109 1 S S94 1 -0.000000 0.414420 0.388845 1 S S95 1 0.916678 0.041495 0.389196 1 S S96 1 -0.000000 0.166019 0.389200 1 S S97 1 0.093682 0.797036 0.615187 1 S S98 1 0.169586 0.919084 0.610859 1 S S99 1 0.084158 0.537915 0.610772 1 S S100 1 0.165096 0.667343 0.608911 1 S S101 1 0.253499 0.792844 0.610747 1 S S102 1 0.334859 0.917871 0.611228 1 S S103 1 0.083437 0.290497 0.610895 1 S S104 1 0.167020 0.415069 0.610920 1 S S105 1 0.249974 0.541595 0.610701 1 S S106 1 0.333163 0.666640 0.610700 1 S S107 1 0.417556 0.792295 0.610997 1 S S108 1 0.500000 0.917610 0.611012 1 S S109 1 0.083322 0.041495 0.610810 1 S S110 1 0.166849 0.166360 0.610829 1 S S111 1 0.250234 0.291168 0.610898 1 S S112 1 0.333375 0.416611 0.610749 1 S S113 1 0.416642 0.541719 0.610677 1 S S114 1 0.500000 0.666739 0.610676 1 S S115 1 0.582444 0.792295 0.610997 1 S S116 1 0.665141 0.917870 0.611230 1 S S117 1 0.251121 0.042700 0.611006 1 S S118 1 0.333787 0.167149 0.610977 1 S S119 1 0.416778 0.292022 0.610861 1 S S120 1 0.500000 0.416861 0.610787 1 S S121 1 0.583358 0.541719 0.610677 1 S S122 1 0.666837 0.666639 0.610700 1 S S123 1 0.746502 0.792843 0.610749 1 S S124 1 0.830415 0.919084 0.610861 1 S S125 1 0.417126 0.042598 0.611024 1 S S126 1 0.500000 0.167370 0.610920 1 S S127 1 0.583222 0.292022 0.610861 1 S S128 1 0.666624 0.416611 0.610750 1 S S129 1 0.750025 0.541595 0.610702 1 S S130 1 0.834904 0.667342 0.608911 1 S S131 1 0.906318 0.797036 0.615187 1 S S132 1 0.000000 0.915275 0.609027 1 S S133 1 0.582874 0.042598 0.611025 1 S S134 1 0.666213 0.167149 0.610980 1 S S135 1 0.749766 0.291168 0.610900 1 S S136 1 0.832980 0.415069 0.610921 1 S S137 1 0.915842 0.537915 0.610773 1 S S138 1 -0.000000 0.655770 0.615136 1 S S139 1 0.748879 0.042700 0.611010 1 S S140 1 0.833151 0.166360 0.610832 1 S S141 1 0.916563 0.290497 0.610896 1 S S142 1 0.000000 0.414419 0.611159 1 S S143 1 0.916678 0.041495 0.610811 1 S S144 1 0.000000 0.166019 0.610804 1