# generated using pymatgen data_W48S95N _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 W48S95N _chemical_formula_sum 'W48 S95 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 0.003609 0.751773 0.505183 1 W W2 1 0.083333 0.871361 0.505295 1 W W3 1 0.000180 0.499894 0.499661 1 W W4 1 0.083334 0.624669 0.501667 1 W W5 1 0.163057 0.751773 0.505184 1 W W6 1 0.250330 0.875123 0.501608 1 W W7 1 0.000046 0.249734 0.498933 1 W W8 1 0.083333 0.374837 0.499144 1 W W9 1 0.166487 0.499894 0.499663 1 W W10 1 0.249418 0.625053 0.500460 1 W W11 1 0.333015 0.750453 0.500277 1 W W12 1 0.416687 0.875104 0.499396 1 W W13 1 -0.000288 -0.000518 0.500731 1 W W14 1 0.083333 0.124487 0.499442 1 W W15 1 0.166621 0.249734 0.498933 1 W W16 1 0.249929 0.374971 0.498849 1 W W17 1 0.333149 0.500264 0.498836 1 W W18 1 0.416302 0.625321 0.498792 1 W W19 1 0.499924 0.750091 0.498478 1 W W20 1 0.583333 0.874947 0.498665 1 W W21 1 0.166954 -0.000518 0.500730 1 W W22 1 0.249901 0.124712 0.499173 1 W W23 1 0.333211 0.249932 0.498687 1 W W24 1 0.416582 0.375208 0.498467 1 W W25 1 0.499895 0.500365 0.498344 1 W W26 1 0.583333 0.625331 0.498234 1 W W27 1 0.666743 0.750091 0.498478 1 W W28 1 0.749979 0.875104 0.499397 1 W W29 1 0.333512 -0.000173 0.499679 1 W W30 1 0.416653 0.124916 0.498929 1 W W31 1 0.499935 0.250072 0.498576 1 W W32 1 0.583333 0.375315 0.498368 1 W W33 1 0.666772 0.500365 0.498344 1 W W34 1 0.750365 0.625321 0.498792 1 W W35 1 0.833652 0.750453 0.500277 1 W W36 1 0.916337 0.875122 0.501609 1 W W37 1 0.500025 -0.000081 0.499050 1 W W38 1 0.583333 0.124927 0.498818 1 W W39 1 0.666732 0.250073 0.498577 1 W W40 1 0.750085 0.375208 0.498466 1 W W41 1 0.833518 0.500263 0.498833 1 W W42 1 0.917249 0.625053 0.500459 1 W W43 1 0.666641 -0.000081 0.499050 1 W W44 1 0.750013 0.124916 0.498930 1 W W45 1 0.833455 0.249932 0.498687 1 W W46 1 0.916738 0.374971 0.498848 1 W W47 1 0.833154 -0.000173 0.499681 1 W W48 1 0.916766 0.124712 0.499172 1 S S49 1 0.165479 0.914606 0.392328 1 S S50 1 0.083334 0.541976 0.389289 1 S S51 1 0.165165 0.668521 0.392217 1 S S52 1 0.247311 0.791831 0.392152 1 S S53 1 0.332955 0.916477 0.389140 1 S S54 1 0.083333 0.291485 0.388251 1 S S55 1 0.166480 0.416743 0.388407 1 S S56 1 0.249292 0.542075 0.388765 1 S S57 1 0.332177 0.667222 0.389112 1 S S58 1 0.415972 0.791937 0.388460 1 S S59 1 0.499853 0.916638 0.388087 1 S S60 1 0.083333 0.040514 0.389597 1 S S61 1 0.166517 0.166135 0.388371 1 S S62 1 0.249780 0.291557 0.388100 1 S S63 1 0.333012 0.416933 0.387991 1 S S64 1 0.416219 0.542062 0.387818 1 S S65 1 0.499611 0.666888 0.387576 1 S S66 1 0.583333 0.791738 0.387541 1 S S67 1 0.666814 0.916638 0.388088 1 S S68 1 0.249889 0.040929 0.388964 1 S S69 1 0.333133 0.166350 0.388207 1 S S70 1 0.416490 0.291710 0.387995 1 S S71 1 0.499864 0.416979 0.387730 1 S S72 1 0.583333 0.542006 0.387517 1 S S73 1 0.667055 0.666888 0.387575 1 S S74 1 0.750695 0.791937 0.388460 1 S S75 1 0.833711 0.916476 0.389142 1 S S76 1 0.416572 0.041434 0.388356 1 S S77 1 0.499937 0.166543 0.388133 1 S S78 1 0.583333 0.291779 0.388001 1 S S79 1 0.666803 0.416979 0.387730 1 S S80 1 0.750447 0.542062 0.387817 1 S S81 1 0.834490 0.667222 0.389111 1 S S82 1 0.919356 0.791831 0.392151 1 S S83 1 0.001188 0.914606 0.392329 1 S S84 1 0.583333 0.041497 0.388180 1 S S85 1 0.666729 0.166543 0.388134 1 S S86 1 0.750177 0.291710 0.387995 1 S S87 1 0.833656 0.416931 0.387988 1 S S88 1 0.917375 0.542075 0.388763 1 S S89 1 0.001502 0.668520 0.392216 1 S S90 1 0.750094 0.041434 0.388356 1 S S91 1 0.833533 0.166350 0.388207 1 S S92 1 0.916887 0.291557 0.388100 1 S S93 1 0.000187 0.416742 0.388406 1 S S94 1 0.916778 0.040929 0.388965 1 S S95 1 0.000150 0.166135 0.388371 1 S S96 1 0.083334 0.791614 0.626759 1 S S97 1 0.167192 0.916959 0.612439 1 S S98 1 0.083333 0.540728 0.611397 1 S S99 1 0.166864 0.666106 0.612327 1 S S100 1 0.250708 0.791754 0.612222 1 S S101 1 0.334342 0.916986 0.611311 1 S S102 1 0.083333 0.291383 0.609745 1 S S103 1 0.166717 0.416296 0.610014 1 S S104 1 0.250007 0.541293 0.610317 1 S S105 1 0.333375 0.666732 0.610303 1 S S106 1 0.417211 0.791790 0.610003 1 S S107 1 0.500355 0.916612 0.609898 1 S S108 1 0.083333 0.041473 0.610780 1 S S109 1 0.166687 0.166460 0.609941 1 S S110 1 0.249975 0.291549 0.609499 1 S S111 1 0.333331 0.416788 0.609363 1 S S112 1 0.416639 0.541918 0.609415 1 S S113 1 0.500031 0.666831 0.609276 1 S S114 1 0.583333 0.791583 0.609305 1 S S115 1 0.666311 0.916612 0.609899 1 S S116 1 0.250487 0.041738 0.610537 1 S S117 1 0.333329 0.166646 0.609594 1 S S118 1 0.416598 0.291818 0.609133 1 S S119 1 0.499955 0.417020 0.609007 1 S S120 1 0.583333 0.542030 0.609014 1 S S121 1 0.666636 0.666831 0.609276 1 S S122 1 0.749456 0.791790 0.610003 1 S S123 1 0.832324 0.916986 0.611312 1 S S124 1 0.416983 0.041748 0.610054 1 S S125 1 0.500019 0.166747 0.609407 1 S S126 1 0.583333 0.291913 0.609017 1 S S127 1 0.666712 0.417020 0.609007 1 S S128 1 0.750028 0.541917 0.609414 1 S S129 1 0.833292 0.666731 0.610302 1 S S130 1 0.915959 0.791753 0.612223 1 S S131 1 -0.000525 0.916959 0.612441 1 S S132 1 0.583333 0.041643 0.609763 1 S S133 1 0.666647 0.166747 0.609407 1 S S134 1 0.750069 0.291818 0.609133 1 S S135 1 0.833336 0.416788 0.609362 1 S S136 1 0.916659 0.541293 0.610315 1 S S137 1 -0.000197 0.666106 0.612326 1 S S138 1 0.749683 0.041748 0.610054 1 S S139 1 0.833338 0.166645 0.609593 1 S S140 1 0.916692 0.291549 0.609500 1 S S141 1 -0.000051 0.416296 0.610014 1 S S142 1 0.916179 0.041739 0.610538 1 S S143 1 -0.000021 0.166460 0.609941 1 N N144 1 0.083333 0.791654 0.438062 1