# 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 0.003599 0.751792 0.505847 1 W W2 1 0.083333 0.871389 0.506018 1 W W3 1 0.000216 0.499991 0.499831 1 W W4 1 0.083333 0.624734 0.502257 1 W W5 1 0.163068 0.751792 0.505847 1 W W6 1 0.250292 0.875091 0.502077 1 W W7 1 0.000073 0.249734 0.498790 1 W W8 1 0.083333 0.374919 0.499076 1 W W9 1 0.166451 0.499991 0.499831 1 W W10 1 0.249380 0.625112 0.500814 1 W W11 1 0.332981 0.750464 0.500581 1 W W12 1 0.416633 0.875047 0.499524 1 W W13 1 -0.000258 -0.000572 0.501171 1 W W14 1 0.083333 0.124453 0.499623 1 W W15 1 0.166594 0.249734 0.498790 1 W W16 1 0.249888 0.375033 0.498620 1 W W17 1 0.333086 0.500371 0.498720 1 W W18 1 0.416274 0.625385 0.498799 1 W W19 1 0.499891 0.750087 0.498430 1 W W20 1 0.583333 0.874871 0.498583 1 W W21 1 0.166925 -0.000571 0.501171 1 W W22 1 0.249834 0.124633 0.499196 1 W W23 1 0.333140 0.249934 0.498283 1 W W24 1 0.416543 0.375244 0.497914 1 W W25 1 0.499870 0.500436 0.497992 1 W W26 1 0.583333 0.625407 0.498077 1 W W27 1 0.666775 0.750087 0.498430 1 W W28 1 0.750034 0.875047 0.499523 1 W W29 1 0.333459 -0.000260 0.499859 1 W W30 1 0.416605 0.124839 0.498654 1 W W31 1 0.499888 0.250032 0.497924 1 W W32 1 0.583333 0.375357 0.497675 1 W W33 1 0.666796 0.500436 0.497991 1 W W34 1 0.750392 0.625385 0.498796 1 W W35 1 0.833686 0.750464 0.500579 1 W W36 1 0.916375 0.875091 0.502076 1 W W37 1 0.499986 -0.000192 0.498955 1 W W38 1 0.583333 0.124849 0.498397 1 W W39 1 0.666778 0.250032 0.497924 1 W W40 1 0.750123 0.375243 0.497914 1 W W41 1 0.833581 0.500371 0.498720 1 W W42 1 0.917287 0.625112 0.500810 1 W W43 1 0.666681 -0.000192 0.498955 1 W W44 1 0.750062 0.124839 0.498654 1 W W45 1 0.833527 0.249934 0.498283 1 W W46 1 0.916778 0.375033 0.498619 1 W W47 1 0.833208 -0.000260 0.499859 1 W W48 1 0.916833 0.124633 0.499196 1 S S49 1 0.165411 0.914526 0.392814 1 S S50 1 0.083334 0.542219 0.389587 1 S S51 1 0.165062 0.668619 0.392720 1 S S52 1 0.247191 0.791829 0.392562 1 S S53 1 0.332791 0.916366 0.389369 1 S S54 1 0.083334 0.291550 0.388180 1 S S55 1 0.166387 0.416938 0.388388 1 S S56 1 0.249124 0.542272 0.388873 1 S S57 1 0.331989 0.667316 0.389299 1 S S58 1 0.415820 0.791923 0.388530 1 S S59 1 0.499759 0.916498 0.388048 1 S S60 1 0.083334 0.040352 0.389924 1 S S61 1 0.166440 0.166009 0.388427 1 S S62 1 0.249643 0.291596 0.387876 1 S S63 1 0.332848 0.417103 0.387755 1 S S64 1 0.416079 0.542246 0.387692 1 S S65 1 0.499518 0.666954 0.387479 1 S S66 1 0.583333 0.791691 0.387445 1 S S67 1 0.666907 0.916498 0.388047 1 S S68 1 0.249757 0.040744 0.389171 1 S S69 1 0.332970 0.166194 0.388066 1 S S70 1 0.416347 0.291697 0.387513 1 S S71 1 0.499793 0.417121 0.387256 1 S S72 1 0.583333 0.542153 0.387282 1 S S73 1 0.667148 0.666954 0.387479 1 S S74 1 0.750847 0.791923 0.388529 1 S S75 1 0.833876 0.916367 0.389368 1 S S76 1 0.416429 0.041224 0.388322 1 S S77 1 0.499856 0.166364 0.387727 1 S S78 1 0.583333 0.291756 0.387421 1 S S79 1 0.666873 0.417121 0.387256 1 S S80 1 0.750588 0.542246 0.387691 1 S S81 1 0.834676 0.667316 0.389295 1 S S82 1 0.919476 0.791829 0.392561 1 S S83 1 0.001255 0.914525 0.392813 1 S S84 1 0.583333 0.041275 0.388030 1 S S85 1 0.666811 0.166364 0.387727 1 S S86 1 0.750320 0.291697 0.387513 1 S S87 1 0.833818 0.417103 0.387755 1 S S88 1 0.917542 0.542271 0.388870 1 S S89 1 0.001605 0.668619 0.392718 1 S S90 1 0.750238 0.041224 0.388322 1 S S91 1 0.833697 0.166194 0.388067 1 S S92 1 0.917024 0.291595 0.387876 1 S S93 1 0.000279 0.416938 0.388386 1 S S94 1 0.916910 0.040744 0.389171 1 S S95 1 0.000227 0.166009 0.388428 1 S S96 1 0.083333 0.791613 0.627541 1 S S97 1 0.167274 0.916995 0.613120 1 S S98 1 0.083333 0.540670 0.611808 1 S S99 1 0.166918 0.666067 0.613002 1 S S100 1 0.250817 0.791756 0.612817 1 S S101 1 0.334410 0.916966 0.611643 1 S S102 1 0.083333 0.291406 0.609564 1 S S103 1 0.166749 0.416284 0.609961 1 S S104 1 0.250049 0.541281 0.610515 1 S S105 1 0.333412 0.666736 0.610603 1 S S106 1 0.417276 0.791757 0.610193 1 S S107 1 0.500396 0.916543 0.609887 1 S S108 1 0.083334 0.041482 0.611232 1 S S109 1 0.166707 0.166505 0.609962 1 S S110 1 0.250006 0.291579 0.609174 1 S S111 1 0.333393 0.416778 0.609002 1 S S112 1 0.416669 0.541914 0.609235 1 S S113 1 0.500055 0.666848 0.609227 1 S S114 1 0.583334 0.791543 0.609254 1 S S115 1 0.666271 0.916543 0.609887 1 S S116 1 0.250524 0.041747 0.610812 1 S S117 1 0.333358 0.166690 0.609294 1 S S118 1 0.416622 0.291836 0.608477 1 S S119 1 0.499978 0.416986 0.608361 1 S S120 1 0.583333 0.542033 0.608658 1 S S121 1 0.666613 0.666848 0.609226 1 S S122 1 0.749390 0.791757 0.610191 1 S S123 1 0.832257 0.916966 0.611643 1 S S124 1 0.417042 0.041761 0.609965 1 S S125 1 0.500036 0.166775 0.608848 1 S S126 1 0.583333 0.291912 0.608162 1 S S127 1 0.666689 0.416985 0.608361 1 S S128 1 0.749998 0.541915 0.609233 1 S S129 1 0.833254 0.666736 0.610599 1 S S130 1 0.915849 0.791756 0.612816 1 S S131 1 -0.000607 0.916996 0.613119 1 S S132 1 0.583333 0.041633 0.609468 1 S S133 1 0.666631 0.166775 0.608848 1 S S134 1 0.750044 0.291836 0.608477 1 S S135 1 0.833274 0.416779 0.609001 1 S S136 1 0.916618 0.541282 0.610513 1 S S137 1 -0.000253 0.666067 0.613001 1 S S138 1 0.749625 0.041761 0.609964 1 S S139 1 0.833309 0.166690 0.609294 1 S S140 1 0.916661 0.291579 0.609174 1 S S141 1 -0.000083 0.416284 0.609960 1 S S142 1 0.916144 0.041747 0.610811 1 S S143 1 -0.000040 0.166505 0.609962 1 N N144 1 0.083333 0.791676 0.438854 1