# generated using pymatgen data_NaW47S96 _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 NaW47S96 _chemical_formula_sum 'Na1 W47 S96' _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 Na Na1 1 -0.000000 0.749113 0.500000 1 W W2 1 0.087349 0.877307 0.499999 1 W W3 1 -0.000000 0.496503 0.499992 1 W W4 1 0.082308 0.618962 0.499997 1 W W5 1 0.170689 0.754095 0.499999 1 W W6 1 0.252729 0.876588 0.499999 1 W W7 1 0.000000 0.249289 0.499998 1 W W8 1 0.083643 0.373339 0.499994 1 W W9 1 0.167877 0.497715 0.499991 1 W W10 1 0.249457 0.625308 0.499994 1 W W11 1 0.335433 0.750164 0.499996 1 W W12 1 0.417469 0.875853 0.500001 1 W W13 1 0.000000 0.000101 0.500000 1 W W14 1 0.083502 0.124992 0.500000 1 W W15 1 0.167021 0.249517 0.499998 1 W W16 1 0.250603 0.374156 0.499994 1 W W17 1 0.333391 0.499832 0.499994 1 W W18 1 0.416601 0.624973 0.499995 1 W W19 1 0.500000 0.750172 0.499999 1 W W20 1 0.582531 0.875853 0.500003 1 W W21 1 0.168077 0.001917 0.500000 1 W W22 1 0.250720 0.125687 0.500001 1 W W23 1 0.333737 0.250139 0.499999 1 W W24 1 0.416769 0.375136 0.499997 1 W W25 1 0.500000 0.499992 0.499997 1 W W26 1 0.583399 0.624973 0.499998 1 W W27 1 0.664567 0.750164 0.500000 1 W W28 1 0.747271 0.876588 0.500002 1 W W29 1 0.334322 0.001101 0.500003 1 W W30 1 0.416988 0.125739 0.500002 1 W W31 1 0.500000 0.250506 0.500000 1 W W32 1 0.583231 0.375136 0.499999 1 W W33 1 0.666609 0.499832 0.499998 1 W W34 1 0.750542 0.625307 0.499998 1 W W35 1 0.829310 0.754096 0.500001 1 W W36 1 0.912651 0.877307 0.500000 1 W W37 1 0.500000 0.000900 0.500003 1 W W38 1 0.583012 0.125739 0.500003 1 W W39 1 0.666263 0.250139 0.500001 1 W W40 1 0.749397 0.374156 0.499997 1 W W41 1 0.832123 0.497715 0.499995 1 W W42 1 0.917693 0.618961 0.499998 1 W W43 1 0.665678 0.001102 0.500004 1 W W44 1 0.749280 0.125687 0.500002 1 W W45 1 0.832979 0.249517 0.499999 1 W W46 1 0.916357 0.373339 0.499995 1 W W47 1 0.831923 0.001917 0.500001 1 W W48 1 0.916498 0.124992 0.500001 1 S S49 1 0.092909 0.796410 0.387326 1 S S50 1 0.169742 0.919401 0.389169 1 S S51 1 0.084357 0.536791 0.388852 1 S S52 1 0.164264 0.667394 0.391643 1 S S53 1 0.254425 0.793195 0.388843 1 S S54 1 0.334982 0.918020 0.388749 1 S S55 1 0.083532 0.290513 0.389015 1 S S56 1 0.167299 0.414820 0.389004 1 S S57 1 0.250137 0.541692 0.389370 1 S S58 1 0.333193 0.666573 0.389247 1 S S59 1 0.417769 0.792281 0.389003 1 S S60 1 0.500000 0.917661 0.388897 1 S S61 1 0.083421 0.041917 0.389163 1 S S62 1 0.166930 0.166532 0.389097 1 S S63 1 0.250371 0.291164 0.389046 1 S S64 1 0.333512 0.416567 0.389126 1 S S65 1 0.416682 0.541601 0.389285 1 S S66 1 0.500000 0.666576 0.389248 1 S S67 1 0.582231 0.792281 0.389002 1 S S68 1 0.665018 0.918020 0.388748 1 S S69 1 0.251211 0.042904 0.388884 1 S S70 1 0.333837 0.167191 0.388972 1 S S71 1 0.416804 0.291995 0.389075 1 S S72 1 0.500000 0.416783 0.389154 1 S S73 1 0.583318 0.541601 0.389284 1 S S74 1 0.666808 0.666573 0.389245 1 S S75 1 0.745575 0.793195 0.388841 1 S S76 1 0.830258 0.919401 0.389168 1 S S77 1 0.417154 0.042661 0.388950 1 S S78 1 0.500000 0.167409 0.389030 1 S S79 1 0.583196 0.291995 0.389074 1 S S80 1 0.666488 0.416567 0.389125 1 S S81 1 0.749864 0.541692 0.389368 1 S S82 1 0.835737 0.667395 0.391642 1 S S83 1 0.907091 0.796410 0.387325 1 S S84 1 0.000000 0.916104 0.390586 1 S S85 1 0.582846 0.042661 0.388950 1 S S86 1 0.666163 0.167191 0.388972 1 S S87 1 0.749629 0.291164 0.389045 1 S S88 1 0.832701 0.414820 0.389003 1 S S89 1 0.915643 0.536791 0.388851 1 S S90 1 -0.000000 0.655059 0.386556 1 S S91 1 0.748789 0.042904 0.388883 1 S S92 1 0.833070 0.166532 0.389097 1 S S93 1 0.916468 0.290513 0.389014 1 S S94 1 0.000000 0.414080 0.388825 1 S S95 1 0.916579 0.041917 0.389163 1 S S96 1 0.000000 0.166296 0.389132 1 S S97 1 0.092909 0.796409 0.612675 1 S S98 1 0.169742 0.919401 0.610832 1 S S99 1 0.084357 0.536792 0.611155 1 S S100 1 0.164263 0.667394 0.608359 1 S S101 1 0.254425 0.793196 0.611160 1 S S102 1 0.334982 0.918020 0.611250 1 S S103 1 0.083532 0.290512 0.610989 1 S S104 1 0.167299 0.414819 0.611003 1 S S105 1 0.250137 0.541692 0.610637 1 S S106 1 0.333193 0.666573 0.610758 1 S S107 1 0.417769 0.792281 0.610998 1 S S108 1 0.500000 0.917660 0.611102 1 S S109 1 0.083421 0.041917 0.610837 1 S S110 1 0.166930 0.166532 0.610903 1 S S111 1 0.250371 0.291164 0.610957 1 S S112 1 0.333512 0.416566 0.610878 1 S S113 1 0.416683 0.541601 0.610719 1 S S114 1 0.500000 0.666576 0.610754 1 S S115 1 0.582231 0.792281 0.610997 1 S S116 1 0.665018 0.918020 0.611249 1 S S117 1 0.251211 0.042904 0.611115 1 S S118 1 0.333837 0.167191 0.611027 1 S S119 1 0.416804 0.291995 0.610927 1 S S120 1 0.500000 0.416783 0.610848 1 S S121 1 0.583318 0.541601 0.610718 1 S S122 1 0.666807 0.666573 0.610757 1 S S123 1 0.745575 0.793196 0.611159 1 S S124 1 0.830258 0.919401 0.610831 1 S S125 1 0.417153 0.042661 0.611048 1 S S126 1 0.500000 0.167408 0.610969 1 S S127 1 0.583196 0.291995 0.610926 1 S S128 1 0.666488 0.416566 0.610877 1 S S129 1 0.749863 0.541692 0.610635 1 S S130 1 0.835736 0.667394 0.608358 1 S S131 1 0.907091 0.796410 0.612675 1 S S132 1 -0.000000 0.916104 0.609414 1 S S133 1 0.582847 0.042661 0.611048 1 S S134 1 0.666163 0.167191 0.611027 1 S S135 1 0.749629 0.291164 0.610956 1 S S136 1 0.832701 0.414820 0.611001 1 S S137 1 0.915643 0.536791 0.611155 1 S S138 1 0.000000 0.655059 0.613446 1 S S139 1 0.748789 0.042904 0.611114 1 S S140 1 0.833070 0.166532 0.610903 1 S S141 1 0.916468 0.290512 0.610989 1 S S142 1 -0.000000 0.414079 0.611184 1 S S143 1 0.916579 0.041917 0.610836 1 S S144 1 -0.000000 0.166295 0.610868 1