# generated using pymatgen data_CdW47S96 _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 CdW47S96 _chemical_formula_sum 'Cd1 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 Cd Cd1 1 -0.000000 0.749955 0.500000 1 W W2 1 0.088219 0.877646 0.499999 1 W W3 1 -0.000000 0.497067 0.499999 1 W W4 1 0.083360 0.619874 0.500000 1 W W5 1 0.171454 0.752478 0.500000 1 W W6 1 0.252570 0.876501 0.500001 1 W W7 1 -0.000000 0.249488 0.499999 1 W W8 1 0.083604 0.373686 0.499999 1 W W9 1 0.167780 0.498021 0.499999 1 W W10 1 0.250075 0.624821 0.500000 1 W W11 1 0.335326 0.750098 0.500000 1 W W12 1 0.417438 0.875607 0.500001 1 W W13 1 0.000000 0.000193 0.500000 1 W W14 1 0.083517 0.125080 0.500000 1 W W15 1 0.166987 0.249654 0.499999 1 W W16 1 0.250594 0.374206 0.499999 1 W W17 1 0.333518 0.499677 0.500000 1 W W18 1 0.416806 0.624830 0.500000 1 W W19 1 0.500000 0.749972 0.500000 1 W W20 1 0.582562 0.875607 0.500001 1 W W21 1 0.167981 0.001796 0.500000 1 W W22 1 0.250648 0.125734 0.500000 1 W W23 1 0.333745 0.250087 0.500000 1 W W24 1 0.416837 0.374967 0.500000 1 W W25 1 0.500000 0.499808 0.500000 1 W W26 1 0.583194 0.624830 0.500000 1 W W27 1 0.664674 0.750098 0.500000 1 W W28 1 0.747430 0.876501 0.500000 1 W W29 1 0.334306 0.000977 0.500000 1 W W30 1 0.416961 0.125575 0.500000 1 W W31 1 0.500000 0.250302 0.500000 1 W W32 1 0.583163 0.374967 0.500000 1 W W33 1 0.666482 0.499677 0.500000 1 W W34 1 0.749925 0.624821 0.500000 1 W W35 1 0.828546 0.752478 0.500000 1 W W36 1 0.911781 0.877646 0.499999 1 W W37 1 0.500000 0.000697 0.500000 1 W W38 1 0.583039 0.125575 0.500000 1 W W39 1 0.666255 0.250087 0.500000 1 W W40 1 0.749406 0.374206 0.499999 1 W W41 1 0.832220 0.498021 0.499999 1 W W42 1 0.916640 0.619874 0.500000 1 W W43 1 0.665694 0.000977 0.500000 1 W W44 1 0.749352 0.125734 0.500000 1 W W45 1 0.833013 0.249654 0.500000 1 W W46 1 0.916396 0.373686 0.499999 1 W W47 1 0.832019 0.001796 0.500000 1 W W48 1 0.916483 0.125080 0.500000 1 S S49 1 0.093937 0.797103 0.385710 1 S S50 1 0.169989 0.919525 0.388842 1 S S51 1 0.084393 0.537563 0.388905 1 S S52 1 0.165740 0.667060 0.390966 1 S S53 1 0.254169 0.792911 0.388898 1 S S54 1 0.334988 0.917857 0.388811 1 S S55 1 0.083507 0.290790 0.389071 1 S S56 1 0.167289 0.415099 0.389059 1 S S57 1 0.250356 0.541381 0.389206 1 S S58 1 0.333527 0.666406 0.389210 1 S S59 1 0.417706 0.792062 0.388968 1 S S60 1 0.500000 0.917415 0.388950 1 S S61 1 0.083350 0.041968 0.389149 1 S S62 1 0.166892 0.166651 0.389099 1 S S63 1 0.250387 0.291208 0.389053 1 S S64 1 0.333596 0.416416 0.389137 1 S S65 1 0.416763 0.541454 0.389250 1 S S66 1 0.500000 0.666464 0.389149 1 S S67 1 0.582294 0.792062 0.388968 1 S S68 1 0.665012 0.917857 0.388811 1 S S69 1 0.251151 0.042892 0.388991 1 S S70 1 0.333823 0.167122 0.388981 1 S S71 1 0.416847 0.291833 0.389066 1 S S72 1 0.500000 0.416623 0.389108 1 S S73 1 0.583237 0.541454 0.389250 1 S S74 1 0.666473 0.666406 0.389210 1 S S75 1 0.745831 0.792911 0.388898 1 S S76 1 0.830011 0.919525 0.388842 1 S S77 1 0.417156 0.042486 0.388949 1 S S78 1 0.500000 0.167196 0.389030 1 S S79 1 0.583153 0.291833 0.389066 1 S S80 1 0.666404 0.416416 0.389137 1 S S81 1 0.749644 0.541381 0.389206 1 S S82 1 0.834260 0.667060 0.390966 1 S S83 1 0.906063 0.797103 0.385710 1 S S84 1 0.000000 0.915888 0.390924 1 S S85 1 0.582844 0.042486 0.388949 1 S S86 1 0.666177 0.167122 0.388981 1 S S87 1 0.749613 0.291208 0.389053 1 S S88 1 0.832711 0.415099 0.389059 1 S S89 1 0.915607 0.537563 0.388905 1 S S90 1 0.000000 0.655814 0.385855 1 S S91 1 0.748849 0.042892 0.388991 1 S S92 1 0.833108 0.166651 0.389099 1 S S93 1 0.916493 0.290790 0.389071 1 S S94 1 -0.000000 0.414542 0.388879 1 S S95 1 0.916650 0.041968 0.389149 1 S S96 1 0.000000 0.166449 0.389183 1 S S97 1 0.093937 0.797103 0.614290 1 S S98 1 0.169989 0.919525 0.611158 1 S S99 1 0.084393 0.537563 0.611096 1 S S100 1 0.165740 0.667060 0.609034 1 S S101 1 0.254169 0.792911 0.611102 1 S S102 1 0.334988 0.917857 0.611188 1 S S103 1 0.083507 0.290790 0.610930 1 S S104 1 0.167289 0.415099 0.610941 1 S S105 1 0.250356 0.541381 0.610794 1 S S106 1 0.333527 0.666406 0.610790 1 S S107 1 0.417706 0.792062 0.611032 1 S S108 1 0.500000 0.917415 0.611050 1 S S109 1 0.083350 0.041968 0.610850 1 S S110 1 0.166892 0.166651 0.610902 1 S S111 1 0.250387 0.291208 0.610948 1 S S112 1 0.333596 0.416416 0.610863 1 S S113 1 0.416763 0.541454 0.610751 1 S S114 1 0.500000 0.666464 0.610851 1 S S115 1 0.582294 0.792062 0.611032 1 S S116 1 0.665012 0.917857 0.611188 1 S S117 1 0.251151 0.042892 0.611009 1 S S118 1 0.333823 0.167122 0.611019 1 S S119 1 0.416847 0.291833 0.610934 1 S S120 1 0.500000 0.416623 0.610893 1 S S121 1 0.583237 0.541454 0.610751 1 S S122 1 0.666473 0.666406 0.610790 1 S S123 1 0.745831 0.792911 0.611102 1 S S124 1 0.830011 0.919525 0.611158 1 S S125 1 0.417156 0.042486 0.611051 1 S S126 1 0.500000 0.167196 0.610970 1 S S127 1 0.583153 0.291833 0.610934 1 S S128 1 0.666404 0.416416 0.610863 1 S S129 1 0.749644 0.541381 0.610794 1 S S130 1 0.834260 0.667060 0.609034 1 S S131 1 0.906063 0.797103 0.614290 1 S S132 1 0.000000 0.915888 0.609076 1 S S133 1 0.582844 0.042486 0.611051 1 S S134 1 0.666177 0.167122 0.611019 1 S S135 1 0.749613 0.291208 0.610948 1 S S136 1 0.832711 0.415099 0.610941 1 S S137 1 0.915607 0.537563 0.611096 1 S S138 1 -0.000000 0.655814 0.614145 1 S S139 1 0.748849 0.042892 0.611009 1 S S140 1 0.833108 0.166651 0.610902 1 S S141 1 0.916493 0.290790 0.610930 1 S S142 1 0.000000 0.414542 0.611121 1 S S143 1 0.916650 0.041968 0.610850 1 S S144 1 -0.000000 0.166449 0.610818 1