# 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 0.085878 0.877802 0.500000 1 W W2 1 -0.000622 0.498500 0.500000 1 W W3 1 0.080154 0.618763 0.500000 1 W W4 1 0.163972 0.754996 0.500000 1 W W5 1 0.251368 0.876791 0.500000 1 W W6 1 -0.000195 0.248992 0.500000 1 W W7 1 0.082922 0.373933 0.500000 1 W W8 1 0.166006 0.498917 0.500000 1 W W9 1 0.248130 0.625780 0.500000 1 W W10 1 0.333563 0.750878 0.500000 1 W W11 1 0.416935 0.876135 0.500000 1 W W12 1 -0.000132 -0.000647 0.500000 1 W W13 1 0.083316 0.124561 0.500000 1 W W14 1 0.166588 0.249638 0.500000 1 W W15 1 0.249859 0.374761 0.500000 1 W W16 1 0.332316 0.500619 0.500000 1 W W17 1 0.415274 0.625811 0.500000 1 W W18 1 0.499437 0.750892 0.500000 1 W W19 1 0.582832 0.875752 0.500000 1 W W20 1 0.168283 0.001174 0.500000 1 W W21 1 0.250688 0.125584 0.500000 1 W W22 1 0.333374 0.250194 0.500000 1 W W23 1 0.416358 0.375749 0.500000 1 W W24 1 0.499409 0.500527 0.500000 1 W W25 1 0.582457 0.625564 0.500000 1 W W26 1 0.665506 0.750711 0.500000 1 W W27 1 0.748908 0.875437 0.500000 1 W W28 1 0.334111 0.001020 0.500000 1 W W29 1 0.416984 0.125809 0.500000 1 W W30 1 0.499994 0.250576 0.500000 1 W W31 1 0.583104 0.375519 0.500000 1 W W32 1 0.666364 0.500256 0.500000 1 W W33 1 0.749512 0.625298 0.500000 1 W W34 1 0.832755 0.750398 0.500000 1 W W35 1 0.916611 0.873746 0.500000 1 W W36 1 0.500167 0.000581 0.500000 1 W W37 1 0.583245 0.125487 0.500000 1 W W38 1 0.666498 0.249895 0.500000 1 W W39 1 0.749798 0.374901 0.500000 1 W W40 1 0.833957 0.499036 0.500000 1 W W41 1 0.913361 0.622015 0.500000 1 W W42 1 0.666185 0.000275 0.500000 1 W W43 1 0.749678 0.124707 0.500000 1 W W44 1 0.832997 0.249296 0.500000 1 W W45 1 0.916008 0.373893 0.500000 1 W W46 1 0.832508 -0.000598 0.500000 1 W W47 1 0.916450 0.124315 0.500000 1 S S48 1 0.089012 0.798044 0.385229 1 S S49 1 0.168941 0.918965 0.388510 1 S S50 1 0.082504 0.538517 0.387189 1 S S51 1 0.163132 0.667956 0.390800 1 S S52 1 0.250455 0.792957 0.390272 1 S S53 1 0.334172 0.917911 0.388868 1 S S54 1 0.083039 0.290787 0.389315 1 S S55 1 0.166366 0.415699 0.389454 1 S S56 1 0.248718 0.542340 0.389682 1 S S57 1 0.331541 0.667339 0.389497 1 S S58 1 0.416463 0.792685 0.389279 1 S S59 1 0.500022 0.917478 0.389109 1 S S60 1 0.083354 0.041359 0.389399 1 S S61 1 0.166674 0.166388 0.389471 1 S S62 1 0.249894 0.291523 0.389439 1 S S63 1 0.332773 0.417228 0.389516 1 S S64 1 0.415798 0.542359 0.389634 1 S S65 1 0.498951 0.667362 0.389602 1 S S66 1 0.582691 0.792399 0.389191 1 S S67 1 0.666059 0.917146 0.389053 1 S S68 1 0.251042 0.042674 0.389027 1 S S69 1 0.333709 0.167218 0.389217 1 S S70 1 0.416578 0.292316 0.389580 1 S S71 1 0.499698 0.417298 0.389492 1 S S72 1 0.582869 0.542204 0.389589 1 S S73 1 0.665957 0.667016 0.389560 1 S S74 1 0.749170 0.792120 0.389693 1 S S75 1 0.833075 0.915958 0.389659 1 S S76 1 0.417196 0.042550 0.389278 1 S S77 1 0.500157 0.167364 0.389352 1 S S78 1 0.583307 0.292114 0.389522 1 S S79 1 0.666509 0.416963 0.389508 1 S S80 1 0.750067 0.541616 0.389762 1 S S81 1 0.832147 0.667488 0.389569 1 S S82 1 0.915178 0.791242 0.389222 1 S S83 1 -0.000296 0.915850 0.390175 1 S S84 1 0.583245 0.042229 0.389283 1 S S85 1 0.666651 0.166689 0.389354 1 S S86 1 0.749845 0.291454 0.389528 1 S S87 1 0.833086 0.416016 0.389244 1 S S88 1 0.916571 0.540204 0.387390 1 S S89 1 -0.002197 0.673691 0.402000 1 S S90 1 0.749698 0.041371 0.389261 1 S S91 1 0.833135 0.165981 0.389425 1 S S92 1 0.916383 0.290613 0.389389 1 S S93 1 -0.000673 0.415267 0.389442 1 S S94 1 0.916384 0.040843 0.389534 1 S S95 1 -0.000171 0.165786 0.389416 1 S S96 1 0.089012 0.798044 0.614771 1 S S97 1 0.168941 0.918965 0.611490 1 S S98 1 0.082504 0.538517 0.612811 1 S S99 1 0.163132 0.667956 0.609200 1 S S100 1 0.250455 0.792957 0.609728 1 S S101 1 0.334172 0.917911 0.611132 1 S S102 1 0.083039 0.290787 0.610685 1 S S103 1 0.166366 0.415699 0.610546 1 S S104 1 0.248718 0.542341 0.610318 1 S S105 1 0.331541 0.667339 0.610503 1 S S106 1 0.416463 0.792685 0.610721 1 S S107 1 0.500022 0.917478 0.610891 1 S S108 1 0.083354 0.041359 0.610601 1 S S109 1 0.166674 0.166388 0.610529 1 S S110 1 0.249894 0.291523 0.610561 1 S S111 1 0.332773 0.417228 0.610484 1 S S112 1 0.415798 0.542359 0.610366 1 S S113 1 0.498951 0.667362 0.610399 1 S S114 1 0.582691 0.792399 0.610809 1 S S115 1 0.666059 0.917146 0.610947 1 S S116 1 0.251042 0.042674 0.610973 1 S S117 1 0.333709 0.167218 0.610783 1 S S118 1 0.416578 0.292316 0.610421 1 S S119 1 0.499698 0.417298 0.610508 1 S S120 1 0.582869 0.542204 0.610411 1 S S121 1 0.665957 0.667016 0.610440 1 S S122 1 0.749170 0.792120 0.610307 1 S S123 1 0.833075 0.915958 0.610341 1 S S124 1 0.417196 0.042550 0.610722 1 S S125 1 0.500157 0.167364 0.610648 1 S S126 1 0.583307 0.292114 0.610478 1 S S127 1 0.666509 0.416963 0.610493 1 S S128 1 0.750067 0.541616 0.610238 1 S S129 1 0.832147 0.667488 0.610431 1 S S130 1 0.915178 0.791242 0.610778 1 S S131 1 -0.000296 0.915850 0.609825 1 S S132 1 0.583245 0.042229 0.610717 1 S S133 1 0.666651 0.166689 0.610646 1 S S134 1 0.749845 0.291454 0.610472 1 S S135 1 0.833086 0.416016 0.610756 1 S S136 1 0.916571 0.540204 0.612610 1 S S137 1 -0.002197 0.673691 0.598000 1 S S138 1 0.749699 0.041371 0.610739 1 S S139 1 0.833135 0.165981 0.610575 1 S S140 1 0.916383 0.290613 0.610611 1 S S141 1 -0.000673 0.415267 0.610558 1 S S142 1 0.916384 0.040843 0.610465 1 S S143 1 -0.000171 0.165786 0.610584 1 N N144 1 0.039366 0.708635 0.500000 1