# 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 0.003788 0.751875 0.505770 1 W W2 1 0.083333 0.871172 0.505800 1 W W3 1 0.000140 0.500061 0.499900 1 W W4 1 0.083333 0.625083 0.502297 1 W W5 1 0.162879 0.751874 0.505770 1 W W6 1 0.249903 0.874927 0.502157 1 W W7 1 0.000020 0.249839 0.498945 1 W W8 1 0.083333 0.374915 0.499202 1 W W9 1 0.166527 0.500061 0.499900 1 W W10 1 0.249560 0.625300 0.500751 1 W W11 1 0.332819 0.750182 0.500560 1 W W12 1 0.416523 0.875048 0.499500 1 W W13 1 0.000076 -0.000507 0.500982 1 W W14 1 0.083333 0.124644 0.499590 1 W W15 1 0.166647 0.249839 0.498945 1 W W16 1 0.249950 0.374991 0.498757 1 W W17 1 0.333133 0.500174 0.498824 1 W W18 1 0.416399 0.625190 0.498883 1 W W19 1 0.499831 0.750108 0.498584 1 W W20 1 0.583333 0.875017 0.498624 1 W W21 1 0.166591 -0.000507 0.500983 1 W W22 1 0.249938 0.124744 0.499193 1 W W23 1 0.333282 0.249943 0.498429 1 W W24 1 0.416604 0.375098 0.498118 1 W W25 1 0.499928 0.500161 0.498112 1 W W26 1 0.583333 0.625161 0.498205 1 W W27 1 0.666836 0.750108 0.498584 1 W W28 1 0.750143 0.875048 0.499500 1 W W29 1 0.333314 -0.000168 0.499757 1 W W30 1 0.416634 0.124971 0.498626 1 W W31 1 0.499984 0.250055 0.498060 1 W W32 1 0.583333 0.375115 0.497897 1 W W33 1 0.666739 0.500161 0.498112 1 W W34 1 0.750268 0.625190 0.498883 1 W W35 1 0.833848 0.750182 0.500560 1 W W36 1 0.916764 0.874927 0.502157 1 W W37 1 0.499996 0.000002 0.498827 1 W W38 1 0.583333 0.125016 0.498364 1 W W39 1 0.666682 0.250055 0.498060 1 W W40 1 0.750063 0.375098 0.498118 1 W W41 1 0.833534 0.500174 0.498824 1 W W42 1 0.917106 0.625300 0.500751 1 W W43 1 0.666671 0.000002 0.498827 1 W W44 1 0.750033 0.124971 0.498626 1 W W45 1 0.833384 0.249943 0.498429 1 W W46 1 0.916717 0.374991 0.498757 1 W W47 1 0.833352 -0.000169 0.499756 1 W W48 1 0.916729 0.124744 0.499193 1 S S49 1 0.165016 0.914371 0.392505 1 S S50 1 0.083333 0.542487 0.389906 1 S S51 1 0.165115 0.669021 0.392459 1 S S52 1 0.246802 0.791621 0.392337 1 S S53 1 0.332409 0.916262 0.389645 1 S S54 1 0.083333 0.291593 0.388313 1 S S55 1 0.166451 0.416937 0.388552 1 S S56 1 0.249287 0.542359 0.389058 1 S S57 1 0.332231 0.667163 0.389362 1 S S58 1 0.415633 0.791785 0.388739 1 S S59 1 0.499682 0.916610 0.388198 1 S S60 1 0.083333 0.040649 0.389823 1 S S61 1 0.166507 0.166237 0.388517 1 S S62 1 0.249770 0.291614 0.387962 1 S S63 1 0.332992 0.416920 0.387828 1 S S64 1 0.416223 0.541983 0.387855 1 S S65 1 0.499612 0.666840 0.387784 1 S S66 1 0.583333 0.791721 0.387801 1 S S67 1 0.666985 0.916610 0.388198 1 S S68 1 0.249525 0.040858 0.389215 1 S S69 1 0.333047 0.166370 0.388011 1 S S70 1 0.416480 0.291668 0.387448 1 S S71 1 0.499873 0.416846 0.387288 1 S S72 1 0.583333 0.541877 0.387410 1 S S73 1 0.667054 0.666840 0.387785 1 S S74 1 0.751034 0.791785 0.388740 1 S S75 1 0.834258 0.916262 0.389645 1 S S76 1 0.416342 0.041405 0.388327 1 S S77 1 0.499888 0.166540 0.387602 1 S S78 1 0.583333 0.291699 0.387241 1 S S79 1 0.666794 0.416846 0.387288 1 S S80 1 0.750444 0.541983 0.387855 1 S S81 1 0.834436 0.667163 0.389362 1 S S82 1 0.919865 0.791621 0.392337 1 S S83 1 0.001650 0.914371 0.392505 1 S S84 1 0.583333 0.041521 0.387935 1 S S85 1 0.666778 0.166540 0.387602 1 S S86 1 0.750187 0.291668 0.387448 1 S S87 1 0.833675 0.416920 0.387828 1 S S88 1 0.917379 0.542359 0.389058 1 S S89 1 0.001552 0.669021 0.392460 1 S S90 1 0.750324 0.041405 0.388326 1 S S91 1 0.833619 0.166370 0.388010 1 S S92 1 0.916897 0.291614 0.387963 1 S S93 1 0.000215 0.416938 0.388552 1 S S94 1 0.917142 0.040858 0.389214 1 S S95 1 0.000160 0.166237 0.388516 1 S S96 1 0.083333 0.791616 0.626353 1 S S97 1 0.166891 0.916954 0.613048 1 S S98 1 0.083333 0.540943 0.611573 1 S S99 1 0.166987 0.666326 0.613012 1 S S100 1 0.250548 0.791587 0.612891 1 S S101 1 0.334119 0.916940 0.611321 1 S S102 1 0.083333 0.291461 0.609748 1 S S103 1 0.166791 0.416333 0.610002 1 S S104 1 0.250169 0.541409 0.610416 1 S S105 1 0.333630 0.666592 0.610523 1 S S106 1 0.417053 0.791716 0.610085 1 S S107 1 0.500286 0.916735 0.609658 1 S S108 1 0.083333 0.041750 0.611030 1 S S109 1 0.166755 0.166631 0.609934 1 S S110 1 0.250136 0.291590 0.609386 1 S S111 1 0.333470 0.416635 0.609219 1 S S112 1 0.416796 0.541662 0.609261 1 S S113 1 0.500117 0.666729 0.609175 1 S S114 1 0.583333 0.791643 0.609158 1 S S115 1 0.666380 0.916735 0.609658 1 S S116 1 0.250311 0.041789 0.610577 1 S S117 1 0.333448 0.166736 0.609413 1 S S118 1 0.416740 0.291747 0.608859 1 S S119 1 0.500047 0.416741 0.608706 1 S S120 1 0.583333 0.541757 0.608807 1 S S121 1 0.666550 0.666729 0.609175 1 S S122 1 0.749614 0.791716 0.610085 1 S S123 1 0.832547 0.916940 0.611321 1 S S124 1 0.416958 0.041867 0.609785 1 S S125 1 0.500071 0.166833 0.609033 1 S S126 1 0.583333 0.291798 0.608682 1 S S127 1 0.666620 0.416741 0.608706 1 S S128 1 0.749871 0.541662 0.609261 1 S S129 1 0.833037 0.666592 0.610523 1 S S130 1 0.916119 0.791587 0.612891 1 S S131 1 -0.000224 0.916955 0.613048 1 S S132 1 0.583333 0.041832 0.609385 1 S S133 1 0.666596 0.166833 0.609032 1 S S134 1 0.749927 0.291747 0.608859 1 S S135 1 0.833197 0.416635 0.609219 1 S S136 1 0.916499 0.541410 0.610416 1 S S137 1 -0.000320 0.666326 0.613012 1 S S138 1 0.749708 0.041867 0.609784 1 S S139 1 0.833220 0.166736 0.609413 1 S S140 1 0.916531 0.291590 0.609386 1 S S141 1 -0.000124 0.416333 0.610002 1 S S142 1 0.916355 0.041789 0.610577 1 S S143 1 -0.000089 0.166630 0.609933 1 N N144 1 0.083333 0.791651 0.435395 1