# 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 -0.000028 0.741982 0.500003 1 W W2 1 0.088210 0.877944 0.500000 1 W W3 1 0.000003 0.495749 0.500001 1 W W4 1 0.082594 0.619048 0.500003 1 W W5 1 0.168749 0.752954 0.500000 1 W W6 1 0.252491 0.877022 0.500000 1 W W7 1 -0.000000 0.248578 0.499999 1 W W8 1 0.083575 0.372721 0.500000 1 W W9 1 0.167254 0.497277 0.499999 1 W W10 1 0.249121 0.625456 0.500000 1 W W11 1 0.334720 0.750912 0.500000 1 W W12 1 0.417434 0.876278 0.499998 1 W W13 1 -0.000001 -0.000163 0.500000 1 W W14 1 0.083636 0.124478 0.500000 1 W W15 1 0.167076 0.249091 0.500000 1 W W16 1 0.250424 0.374012 0.500000 1 W W17 1 0.333183 0.500285 0.499999 1 W W18 1 0.416451 0.625694 0.499999 1 W W19 1 0.500001 0.750998 0.499997 1 W W20 1 0.582565 0.876278 0.499998 1 W W21 1 0.168641 0.001393 0.500000 1 W W22 1 0.251017 0.125607 0.500001 1 W W23 1 0.333808 0.250252 0.500001 1 W W24 1 0.416728 0.375539 0.500001 1 W W25 1 0.500000 0.500683 0.499999 1 W W26 1 0.583552 0.625695 0.499999 1 W W27 1 0.665281 0.750912 0.499999 1 W W28 1 0.747506 0.877026 0.499999 1 W W29 1 0.334554 0.001271 0.500000 1 W W30 1 0.417085 0.125985 0.500001 1 W W31 1 0.500000 0.250833 0.500000 1 W W32 1 0.583273 0.375541 0.500001 1 W W33 1 0.666818 0.500289 0.500001 1 W W34 1 0.750884 0.625459 0.499999 1 W W35 1 0.831254 0.752960 0.499999 1 W W36 1 0.911781 0.877954 0.499999 1 W W37 1 0.499999 0.001221 0.500000 1 W W38 1 0.582914 0.125986 0.500000 1 W W39 1 0.666192 0.250254 0.500000 1 W W40 1 0.749577 0.374015 0.500001 1 W W41 1 0.832746 0.497281 0.500001 1 W W42 1 0.917420 0.619058 0.500002 1 W W43 1 0.665445 0.001273 0.499999 1 W W44 1 0.748982 0.125609 0.500000 1 W W45 1 0.832924 0.249092 0.500000 1 W W46 1 0.916425 0.372723 0.500000 1 W W47 1 0.831356 0.001396 0.499999 1 W W48 1 0.916364 0.124479 0.499999 1 S S49 1 0.092049 0.797810 0.386183 1 S S50 1 0.170110 0.919284 0.388293 1 S S51 1 0.084013 0.536670 0.388697 1 S S52 1 0.164340 0.667491 0.391483 1 S S53 1 0.252570 0.793190 0.389335 1 S S54 1 0.334959 0.918172 0.388708 1 S S55 1 0.083491 0.289916 0.389045 1 S S56 1 0.167017 0.414576 0.389031 1 S S57 1 0.249691 0.541787 0.389411 1 S S58 1 0.332750 0.667111 0.389365 1 S S59 1 0.417253 0.792757 0.389041 1 S S60 1 0.500000 0.918005 0.388914 1 S S61 1 0.083551 0.041416 0.389191 1 S S62 1 0.167042 0.166089 0.389178 1 S S63 1 0.250304 0.291045 0.389099 1 S S64 1 0.333287 0.416903 0.389357 1 S S65 1 0.416510 0.542310 0.389448 1 S S66 1 0.500002 0.667406 0.389456 1 S S67 1 0.582748 0.792757 0.389040 1 S S68 1 0.665038 0.918173 0.388707 1 S S69 1 0.251363 0.042777 0.388948 1 S S70 1 0.333955 0.167317 0.388986 1 S S71 1 0.416804 0.292384 0.389196 1 S S72 1 0.500000 0.417409 0.389336 1 S S73 1 0.583492 0.542312 0.389449 1 S S74 1 0.667254 0.667111 0.389366 1 S S75 1 0.747430 0.793192 0.389336 1 S S76 1 0.829882 0.919291 0.388289 1 S S77 1 0.417222 0.042913 0.388903 1 S S78 1 0.499999 0.167736 0.389080 1 S S79 1 0.583196 0.292385 0.389196 1 S S80 1 0.666715 0.416907 0.389362 1 S S81 1 0.750310 0.541789 0.389413 1 S S82 1 0.835672 0.667496 0.391488 1 S S83 1 0.907941 0.797823 0.386177 1 S S84 1 0.000000 0.915685 0.391316 1 S S85 1 0.582777 0.042914 0.388903 1 S S86 1 0.666044 0.167318 0.388985 1 S S87 1 0.749696 0.291047 0.389101 1 S S88 1 0.832982 0.414579 0.389033 1 S S89 1 0.915991 0.536676 0.388706 1 S S90 1 0.000010 0.652689 0.383648 1 S S91 1 0.748635 0.042780 0.388947 1 S S92 1 0.832958 0.166091 0.389177 1 S S93 1 0.916508 0.289918 0.389046 1 S S94 1 -0.000000 0.413419 0.388732 1 S S95 1 0.916448 0.041418 0.389190 1 S S96 1 0.000000 0.165577 0.389241 1 S S97 1 0.092052 0.797811 0.613816 1 S S98 1 0.170111 0.919284 0.611705 1 S S99 1 0.084014 0.536669 0.611303 1 S S100 1 0.164341 0.667492 0.608517 1 S S101 1 0.252570 0.793190 0.610663 1 S S102 1 0.334960 0.918170 0.611290 1 S S103 1 0.083490 0.289917 0.610956 1 S S104 1 0.167018 0.414578 0.610968 1 S S105 1 0.249691 0.541786 0.610584 1 S S106 1 0.332750 0.667111 0.610626 1 S S107 1 0.417255 0.792757 0.610951 1 S S108 1 0.499999 0.918003 0.611079 1 S S109 1 0.083552 0.041415 0.610809 1 S S110 1 0.167041 0.166090 0.610826 1 S S111 1 0.250302 0.291047 0.610902 1 S S112 1 0.333285 0.416905 0.610642 1 S S113 1 0.416509 0.542312 0.610547 1 S S114 1 0.500001 0.667409 0.610537 1 S S115 1 0.582746 0.792757 0.610952 1 S S116 1 0.665038 0.918173 0.611291 1 S S117 1 0.251364 0.042775 0.611053 1 S S118 1 0.333955 0.167317 0.611018 1 S S119 1 0.416804 0.292385 0.610810 1 S S120 1 0.500000 0.417410 0.610666 1 S S121 1 0.583489 0.542314 0.610549 1 S S122 1 0.667253 0.667112 0.610629 1 S S123 1 0.747429 0.793192 0.610662 1 S S124 1 0.829882 0.919290 0.611709 1 S S125 1 0.417221 0.042912 0.611099 1 S S126 1 0.500000 0.167735 0.610926 1 S S127 1 0.583195 0.292385 0.610809 1 S S128 1 0.666714 0.416908 0.610645 1 S S129 1 0.750310 0.541791 0.610589 1 S S130 1 0.835671 0.667497 0.608512 1 S S131 1 0.907940 0.797824 0.613822 1 S S132 1 0.000000 0.915686 0.608685 1 S S133 1 0.582778 0.042913 0.611098 1 S S134 1 0.666044 0.167318 0.611019 1 S S135 1 0.749698 0.291047 0.610902 1 S S136 1 0.832982 0.414579 0.610972 1 S S137 1 0.915991 0.536676 0.611300 1 S S138 1 0.000009 0.652689 0.616360 1 S S139 1 0.748634 0.042778 0.611053 1 S S140 1 0.832957 0.166090 0.610826 1 S S141 1 0.916509 0.289917 0.610957 1 S S142 1 0.000001 0.413419 0.611270 1 S S143 1 0.916448 0.041417 0.610809 1 S S144 1 0.000000 0.165577 0.610759 1