# generated using pymatgen data_W47S96N _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 W47S96N _chemical_formula_sum 'W47 S96 N1' _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 W W1 1 0.086378 0.871059 0.500035 1 W W2 1 0.999911 0.498110 0.500000 1 W W3 1 0.081102 0.623695 0.500003 1 W W4 1 0.169919 0.751276 0.500021 1 W W5 1 0.252160 0.875625 0.500010 1 W W6 1 0.999908 0.248861 0.500006 1 W W7 1 0.083183 0.373613 0.500004 1 W W8 1 0.166523 0.498648 0.500001 1 W W9 1 0.249438 0.624874 0.499999 1 W W10 1 0.335689 0.750181 0.499994 1 W W11 1 0.417495 0.875484 0.499985 1 W W12 1 0.999500 0.999014 0.500027 1 W W13 1 0.083097 0.123872 0.500012 1 W W14 1 0.166538 0.248978 0.500003 1 W W15 1 0.249805 0.374162 0.500001 1 W W16 1 0.332959 0.499717 0.499997 1 W W17 1 0.416587 0.624937 0.499989 1 W W18 1 0.500784 0.750246 0.499981 1 W W19 1 0.582991 0.875315 0.499981 1 W W20 1 0.167290 0.000155 0.500019 1 W W21 1 0.250173 0.124639 0.500002 1 W W22 1 0.333252 0.249636 0.499996 1 W W23 1 0.416407 0.374823 0.499997 1 W W24 1 0.499842 0.499925 0.499992 1 W W25 1 0.583406 0.625012 0.499982 1 W W26 1 0.666689 0.750774 0.499984 1 W W27 1 0.749054 0.876053 0.500004 1 W W28 1 0.334046 0.000215 0.499995 1 W W29 1 0.416688 0.125146 0.499986 1 W W30 1 0.499836 0.250047 0.499993 1 W W31 1 0.583158 0.374860 0.499996 1 W W32 1 0.666491 0.499677 0.499990 1 W W33 1 0.750281 0.624743 0.499990 1 W W34 1 0.830681 0.748638 0.500013 1 W W35 1 0.909340 0.876868 0.500030 1 W W36 1 0.500075 0.000465 0.499978 1 W W37 1 0.583064 0.125276 0.499987 1 W W38 1 0.666391 0.249926 0.499998 1 W W39 1 0.749886 0.374305 0.499999 1 W W40 1 0.833198 0.498441 0.499995 1 W W41 1 0.916861 0.623607 0.500003 1 W W42 1 0.665894 0.000518 0.499990 1 W W43 1 0.749462 0.125251 0.500000 1 W W44 1 0.833195 0.249274 0.500004 1 W W45 1 0.916586 0.373700 0.500002 1 W W46 1 0.832125 0.000525 0.500014 1 W W47 1 0.916351 0.124258 0.500011 1 S S48 1 0.093423 0.793471 0.384594 1 S S49 1 0.167771 0.916751 0.390228 1 S S50 1 0.083083 0.540065 0.389438 1 S S51 1 0.165166 0.666828 0.390729 1 S S52 1 0.253686 0.792297 0.389214 1 S S53 1 0.334526 0.917195 0.388754 1 S S54 1 0.083233 0.290446 0.389205 1 S S55 1 0.166442 0.415529 0.389222 1 S S56 1 0.249473 0.541422 0.389446 1 S S57 1 0.333204 0.666499 0.389374 1 S S58 1 0.418126 0.792058 0.389018 1 S S59 1 0.500198 0.917200 0.389039 1 S S60 1 0.082886 0.040430 0.389335 1 S S61 1 0.166450 0.165696 0.389301 1 S S62 1 0.249788 0.290915 0.389264 1 S S63 1 0.332974 0.416357 0.389339 1 S S64 1 0.416385 0.541526 0.389411 1 S S65 1 0.500103 0.666643 0.389378 1 S S66 1 0.583597 0.791956 0.389059 1 S S67 1 0.665732 0.917207 0.389168 1 S S68 1 0.250458 0.041505 0.389165 1 S S69 1 0.333281 0.166482 0.389159 1 S S70 1 0.416456 0.291568 0.389261 1 S S71 1 0.499781 0.416584 0.389337 1 S S72 1 0.583269 0.541608 0.389345 1 S S73 1 0.666815 0.666910 0.389617 1 S S74 1 0.749716 0.792445 0.388442 1 S S75 1 0.830297 0.918216 0.386880 1 S S76 1 0.416907 0.042010 0.389084 1 S S77 1 0.499836 0.166872 0.389168 1 S S78 1 0.583140 0.291673 0.389219 1 S S79 1 0.666597 0.416363 0.389330 1 S S80 1 0.749978 0.541176 0.389524 1 S S81 1 0.834002 0.665427 0.389204 1 S S82 1 0.923379 0.787689 0.402369 1 S S83 1 0.999539 0.914547 0.390431 1 S S84 1 0.582998 0.042156 0.389004 1 S S85 1 0.666286 0.166863 0.389130 1 S S86 1 0.749912 0.291157 0.389236 1 S S87 1 0.833299 0.415497 0.389103 1 S S88 1 0.916536 0.539957 0.389534 1 S S89 1 0.999541 0.664110 0.390062 1 S S90 1 0.749070 0.042285 0.389153 1 S S91 1 0.833179 0.166159 0.389176 1 S S92 1 0.916646 0.290570 0.389215 1 S S93 1 0.999919 0.415129 0.389050 1 S S94 1 0.916440 0.040960 0.389329 1 S S95 1 0.999861 0.165606 0.389290 1 S S96 1 0.093441 0.793471 0.615475 1 S S97 1 0.167787 0.916754 0.609817 1 S S98 1 0.083081 0.540063 0.610562 1 S S99 1 0.165170 0.666818 0.609285 1 S S100 1 0.253705 0.792293 0.610803 1 S S101 1 0.334543 0.917196 0.611238 1 S S102 1 0.083235 0.290447 0.610801 1 S S103 1 0.166444 0.415530 0.610780 1 S S104 1 0.249477 0.541422 0.610550 1 S S105 1 0.333212 0.666498 0.610612 1 S S106 1 0.418135 0.792060 0.610953 1 S S107 1 0.500201 0.917203 0.610918 1 S S108 1 0.082892 0.040437 0.610704 1 S S109 1 0.166457 0.165700 0.610706 1 S S110 1 0.249792 0.290914 0.610733 1 S S111 1 0.332977 0.416357 0.610655 1 S S112 1 0.416388 0.541529 0.610572 1 S S113 1 0.500109 0.666645 0.610587 1 S S114 1 0.583594 0.791957 0.610902 1 S S115 1 0.665718 0.917208 0.610812 1 S S116 1 0.250472 0.041509 0.610844 1 S S117 1 0.333290 0.166481 0.610828 1 S S118 1 0.416459 0.291567 0.610727 1 S S119 1 0.499781 0.416587 0.610649 1 S S120 1 0.583269 0.541613 0.610629 1 S S121 1 0.666809 0.666911 0.610349 1 S S122 1 0.749697 0.792442 0.611557 1 S S123 1 0.830276 0.918221 0.613152 1 S S124 1 0.416920 0.042010 0.610885 1 S S125 1 0.499836 0.166868 0.610805 1 S S126 1 0.583137 0.291672 0.610771 1 S S127 1 0.666594 0.416368 0.610657 1 S S128 1 0.749975 0.541176 0.610454 1 S S129 1 0.833993 0.665418 0.610799 1 S S130 1 0.923362 0.787690 0.597695 1 S S131 1 0.999538 0.914553 0.609638 1 S S132 1 0.582990 0.042155 0.610960 1 S S133 1 0.666278 0.166861 0.610856 1 S S134 1 0.749907 0.291157 0.610763 1 S S135 1 0.833296 0.415500 0.610891 1 S S136 1 0.916533 0.539954 0.610462 1 S S137 1 0.999540 0.664106 0.609942 1 S S138 1 0.749055 0.042286 0.610847 1 S S139 1 0.833172 0.166160 0.610830 1 S S140 1 0.916644 0.290573 0.610792 1 S S141 1 0.999918 0.415131 0.610951 1 S S142 1 0.916431 0.040967 0.610704 1 S S143 1 0.999860 0.165610 0.610726 1 N N144 1 0.979539 0.801546 0.500043 1