# 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 0.003643 0.751772 0.505685 1 W W2 1 0.083333 0.871347 0.505741 1 W W3 1 0.000125 0.499682 0.499819 1 W W4 1 0.083333 0.624561 0.502120 1 W W5 1 0.163024 0.751772 0.505685 1 W W6 1 0.250361 0.875179 0.502038 1 W W7 1 -0.000027 0.249844 0.498948 1 W W8 1 0.083333 0.374731 0.499163 1 W W9 1 0.166541 0.499682 0.499818 1 W W10 1 0.249503 0.624918 0.500721 1 W W11 1 0.333080 0.750361 0.500539 1 W W12 1 0.416780 0.875204 0.499506 1 W W13 1 -0.000294 -0.000335 0.501064 1 W W14 1 0.083333 0.124714 0.499665 1 W W15 1 0.166694 0.249844 0.498948 1 W W16 1 0.250023 0.374855 0.498709 1 W W17 1 0.333322 0.499968 0.498756 1 W W18 1 0.416409 0.625122 0.498815 1 W W19 1 0.500005 0.750025 0.498513 1 W W20 1 0.583333 0.875074 0.498604 1 W W21 1 0.166961 -0.000335 0.501063 1 W W22 1 0.250040 0.124988 0.499227 1 W W23 1 0.333373 0.250007 0.498384 1 W W24 1 0.416689 0.375053 0.498051 1 W W25 1 0.499957 0.500090 0.498045 1 W W26 1 0.583333 0.625102 0.498123 1 W W27 1 0.666662 0.750025 0.498514 1 W W28 1 0.749887 0.875204 0.499506 1 W W29 1 0.333638 0.000051 0.499797 1 W W30 1 0.416751 0.125119 0.498658 1 W W31 1 0.500022 0.250126 0.498044 1 W W32 1 0.583333 0.375134 0.497837 1 W W33 1 0.666709 0.500089 0.498046 1 W W34 1 0.750258 0.625122 0.498817 1 W W35 1 0.833587 0.750360 0.500540 1 W W36 1 0.916306 0.875179 0.502039 1 W W37 1 0.500103 0.000135 0.498880 1 W W38 1 0.583333 0.125146 0.498397 1 W W39 1 0.666645 0.250126 0.498043 1 W W40 1 0.749977 0.375053 0.498051 1 W W41 1 0.833344 0.499967 0.498757 1 W W42 1 0.917164 0.624917 0.500722 1 W W43 1 0.666563 0.000135 0.498880 1 W W44 1 0.749915 0.125119 0.498658 1 W W45 1 0.833294 0.250007 0.498383 1 W W46 1 0.916644 0.374856 0.498709 1 W W47 1 0.833028 0.000051 0.499797 1 W W48 1 0.916627 0.124988 0.499227 1 S S49 1 0.165431 0.914729 0.392968 1 S S50 1 0.083331 0.541884 0.389750 1 S S51 1 0.165204 0.668528 0.392863 1 S S52 1 0.247272 0.791789 0.392765 1 S S53 1 0.332922 0.916586 0.389580 1 S S54 1 0.083333 0.291476 0.388218 1 S S55 1 0.166485 0.416617 0.388399 1 S S56 1 0.249377 0.541944 0.389100 1 S S57 1 0.332271 0.667104 0.389503 1 S S58 1 0.415971 0.791919 0.388813 1 S S59 1 0.499841 0.916781 0.388116 1 S S60 1 0.083333 0.040760 0.390104 1 S S61 1 0.166539 0.166303 0.388477 1 S S62 1 0.249815 0.291552 0.387823 1 S S63 1 0.333066 0.416751 0.387644 1 S S64 1 0.416290 0.541873 0.387702 1 S S65 1 0.499648 0.666762 0.387641 1 S S66 1 0.583333 0.791769 0.387623 1 S S67 1 0.666826 0.916781 0.388116 1 S S68 1 0.249863 0.041145 0.389346 1 S S69 1 0.333191 0.166480 0.387905 1 S S70 1 0.416565 0.291675 0.387281 1 S S71 1 0.499914 0.416808 0.387101 1 S S72 1 0.583334 0.541814 0.387261 1 S S73 1 0.667018 0.666762 0.387642 1 S S74 1 0.750695 0.791920 0.388813 1 S S75 1 0.833745 0.916586 0.389580 1 S S76 1 0.416578 0.041601 0.388254 1 S S77 1 0.499950 0.166652 0.387510 1 S S78 1 0.583333 0.291742 0.387109 1 S S79 1 0.666753 0.416807 0.387101 1 S S80 1 0.750377 0.541873 0.387704 1 S S81 1 0.834396 0.667103 0.389504 1 S S82 1 0.919394 0.791789 0.392767 1 S S83 1 0.001235 0.914728 0.392969 1 S S84 1 0.583334 0.041683 0.387872 1 S S85 1 0.666716 0.166652 0.387510 1 S S86 1 0.750102 0.291675 0.387280 1 S S87 1 0.833600 0.416751 0.387644 1 S S88 1 0.917289 0.541943 0.389101 1 S S89 1 0.001462 0.668527 0.392863 1 S S90 1 0.750089 0.041601 0.388253 1 S S91 1 0.833476 0.166480 0.387906 1 S S92 1 0.916852 0.291552 0.387822 1 S S93 1 0.000182 0.416617 0.388399 1 S S94 1 0.916804 0.041145 0.389346 1 S S95 1 0.000128 0.166303 0.388477 1 S S96 1 0.083334 0.791610 0.627113 1 S S97 1 0.167205 0.917126 0.612653 1 S S98 1 0.083333 0.540474 0.611506 1 S S99 1 0.166981 0.665975 0.612550 1 S S100 1 0.250835 0.791728 0.612432 1 S S101 1 0.334494 0.917176 0.611343 1 S S102 1 0.083333 0.291393 0.609853 1 S S103 1 0.166833 0.416038 0.610056 1 S S104 1 0.250228 0.541003 0.610215 1 S S105 1 0.333653 0.666514 0.610277 1 S S106 1 0.417361 0.791795 0.609899 1 S S107 1 0.500459 0.916862 0.609766 1 S S108 1 0.083334 0.041830 0.610901 1 S S109 1 0.166826 0.166739 0.610068 1 S S110 1 0.250213 0.291552 0.609458 1 S S111 1 0.333570 0.416460 0.609242 1 S S112 1 0.416875 0.541560 0.609273 1 S S113 1 0.500176 0.666640 0.609166 1 S S114 1 0.583334 0.791656 0.609181 1 S S115 1 0.666207 0.916862 0.609765 1 S S116 1 0.250630 0.042052 0.610502 1 S S117 1 0.333592 0.166914 0.609519 1 S S118 1 0.416811 0.291782 0.608911 1 S S119 1 0.500080 0.416714 0.608752 1 S S120 1 0.583333 0.541691 0.608812 1 S S121 1 0.666491 0.666640 0.609166 1 S S122 1 0.749306 0.791795 0.609900 1 S S123 1 0.832173 0.917176 0.611343 1 S S124 1 0.417192 0.042085 0.609945 1 S S125 1 0.500133 0.166981 0.609162 1 S S126 1 0.583333 0.291877 0.608752 1 S S127 1 0.666587 0.416714 0.608751 1 S S128 1 0.749791 0.541559 0.609274 1 S S129 1 0.833015 0.666513 0.610281 1 S S130 1 0.915832 0.791728 0.612434 1 S S131 1 -0.000538 0.917126 0.612654 1 S S132 1 0.583333 0.042002 0.609559 1 S S133 1 0.666533 0.166982 0.609162 1 S S134 1 0.749856 0.291782 0.608911 1 S S135 1 0.833097 0.416459 0.609243 1 S S136 1 0.916438 0.541002 0.610217 1 S S137 1 -0.000314 0.665975 0.612550 1 S S138 1 0.749475 0.042085 0.609945 1 S S139 1 0.833075 0.166914 0.609519 1 S S140 1 0.916454 0.291552 0.609457 1 S S141 1 -0.000167 0.416037 0.610056 1 S S142 1 0.916037 0.042052 0.610502 1 S S143 1 -0.000160 0.166739 0.610068 1 N N144 1 0.083333 0.791658 0.438359 1