# 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 0.749722 0.500000 1 W W2 1 0.088426 0.877268 0.500000 1 W W3 1 -0.000000 0.496166 0.500000 1 W W4 1 0.082995 0.619627 0.500000 1 W W5 1 0.171270 0.752769 0.500000 1 W W6 1 0.253010 0.876859 0.500000 1 W W7 1 0.000000 0.248407 0.500000 1 W W8 1 0.083389 0.372697 0.500000 1 W W9 1 0.166796 0.497470 0.500000 1 W W10 1 0.249117 0.625414 0.500000 1 W W11 1 0.335255 0.751259 0.500000 1 W W12 1 0.417631 0.876416 0.500000 1 W W13 1 0.000000 -0.001086 0.500000 1 W W14 1 0.083602 0.124147 0.500000 1 W W15 1 0.166955 0.248890 0.500000 1 W W16 1 0.250297 0.373923 0.500000 1 W W17 1 0.333099 0.500064 0.500000 1 W W18 1 0.416600 0.625585 0.500000 1 W W19 1 0.500000 0.750935 0.499999 1 W W20 1 0.582369 0.876416 0.499999 1 W W21 1 0.168782 0.001072 0.500000 1 W W22 1 0.250923 0.125479 0.500000 1 W W23 1 0.333669 0.250105 0.500000 1 W W24 1 0.416632 0.375405 0.500000 1 W W25 1 0.500000 0.500494 0.500000 1 W W26 1 0.583400 0.625585 0.500000 1 W W27 1 0.664745 0.751259 0.499999 1 W W28 1 0.746990 0.876859 0.500000 1 W W29 1 0.334747 0.001249 0.500000 1 W W30 1 0.417093 0.125961 0.500000 1 W W31 1 0.500000 0.250669 0.500000 1 W W32 1 0.583368 0.375405 0.500000 1 W W33 1 0.666901 0.500064 0.500000 1 W W34 1 0.750883 0.625414 0.500000 1 W W35 1 0.828730 0.752769 0.500000 1 W W36 1 0.911574 0.877268 0.500000 1 W W37 1 0.500000 0.001275 0.500000 1 W W38 1 0.582907 0.125961 0.500000 1 W W39 1 0.666331 0.250105 0.500000 1 W W40 1 0.749703 0.373923 0.500000 1 W W41 1 0.833204 0.497470 0.500000 1 W W42 1 0.917005 0.619627 0.500000 1 W W43 1 0.665253 0.001249 0.500000 1 W W44 1 0.749077 0.125479 0.500000 1 W W45 1 0.833045 0.248890 0.500000 1 W W46 1 0.916611 0.372697 0.500000 1 W W47 1 0.831218 0.001072 0.500000 1 W W48 1 0.916398 0.124147 0.500000 1 S S49 1 0.092717 0.796452 0.387452 1 S S50 1 0.170230 0.918929 0.388518 1 S S51 1 0.083711 0.537318 0.388707 1 S S52 1 0.164754 0.667517 0.391556 1 S S53 1 0.253795 0.793475 0.388685 1 S S54 1 0.335192 0.918260 0.388694 1 S S55 1 0.083435 0.289848 0.389127 1 S S56 1 0.166801 0.414673 0.389165 1 S S57 1 0.249531 0.541640 0.389660 1 S S58 1 0.332981 0.667126 0.389637 1 S S59 1 0.417633 0.792890 0.388993 1 S S60 1 0.500000 0.918109 0.388849 1 S S61 1 0.083516 0.040904 0.389466 1 S S62 1 0.166908 0.165877 0.389236 1 S S63 1 0.250142 0.290920 0.389191 1 S S64 1 0.333168 0.416735 0.389398 1 S S65 1 0.416447 0.542134 0.389578 1 S S66 1 0.500000 0.667290 0.389471 1 S S67 1 0.582367 0.792890 0.388993 1 S S68 1 0.664808 0.918260 0.388694 1 S S69 1 0.251413 0.042615 0.388987 1 S S70 1 0.333872 0.167203 0.389046 1 S S71 1 0.416717 0.292235 0.389271 1 S S72 1 0.500000 0.417197 0.389404 1 S S73 1 0.583553 0.542134 0.389578 1 S S74 1 0.667019 0.667126 0.389637 1 S S75 1 0.746205 0.793475 0.388685 1 S S76 1 0.829770 0.918929 0.388518 1 S S77 1 0.417260 0.042949 0.388909 1 S S78 1 0.500000 0.167644 0.389079 1 S S79 1 0.583283 0.292235 0.389271 1 S S80 1 0.666832 0.416735 0.389398 1 S S81 1 0.750469 0.541640 0.389660 1 S S82 1 0.835246 0.667517 0.391556 1 S S83 1 0.907283 0.796452 0.387452 1 S S84 1 -0.000000 0.914725 0.391422 1 S S85 1 0.582740 0.042949 0.388909 1 S S86 1 0.666128 0.167203 0.389046 1 S S87 1 0.749858 0.290920 0.389191 1 S S88 1 0.833199 0.414673 0.389165 1 S S89 1 0.916289 0.537318 0.388708 1 S S90 1 -0.000000 0.656692 0.387540 1 S S91 1 0.748587 0.042615 0.388987 1 S S92 1 0.833092 0.165877 0.389236 1 S S93 1 0.916565 0.289848 0.389127 1 S S94 1 -0.000000 0.413697 0.388855 1 S S95 1 0.916484 0.040904 0.389466 1 S S96 1 0.000000 0.165311 0.389336 1 S S97 1 0.092717 0.796452 0.612548 1 S S98 1 0.170230 0.918929 0.611481 1 S S99 1 0.083711 0.537318 0.611292 1 S S100 1 0.164754 0.667517 0.608444 1 S S101 1 0.253795 0.793475 0.611316 1 S S102 1 0.335192 0.918260 0.611306 1 S S103 1 0.083435 0.289848 0.610873 1 S S104 1 0.166801 0.414673 0.610835 1 S S105 1 0.249531 0.541640 0.610340 1 S S106 1 0.332980 0.667126 0.610363 1 S S107 1 0.417633 0.792890 0.611007 1 S S108 1 0.500000 0.918109 0.611152 1 S S109 1 0.083516 0.040904 0.610534 1 S S110 1 0.166908 0.165877 0.610764 1 S S111 1 0.250142 0.290920 0.610809 1 S S112 1 0.333168 0.416735 0.610602 1 S S113 1 0.416447 0.542134 0.610422 1 S S114 1 0.500000 0.667290 0.610529 1 S S115 1 0.582367 0.792890 0.611007 1 S S116 1 0.664808 0.918260 0.611306 1 S S117 1 0.251412 0.042615 0.611013 1 S S118 1 0.333872 0.167203 0.610954 1 S S119 1 0.416717 0.292235 0.610729 1 S S120 1 0.500000 0.417197 0.610596 1 S S121 1 0.583553 0.542134 0.610422 1 S S122 1 0.667020 0.667126 0.610363 1 S S123 1 0.746205 0.793475 0.611316 1 S S124 1 0.829770 0.918929 0.611482 1 S S125 1 0.417260 0.042949 0.611091 1 S S126 1 0.500000 0.167644 0.610921 1 S S127 1 0.583283 0.292235 0.610729 1 S S128 1 0.666832 0.416735 0.610602 1 S S129 1 0.750469 0.541640 0.610340 1 S S130 1 0.835247 0.667517 0.608444 1 S S131 1 0.907283 0.796452 0.612548 1 S S132 1 0.000000 0.914725 0.608578 1 S S133 1 0.582740 0.042949 0.611091 1 S S134 1 0.666128 0.167203 0.610954 1 S S135 1 0.749858 0.290920 0.610809 1 S S136 1 0.833199 0.414673 0.610835 1 S S137 1 0.916289 0.537318 0.611293 1 S S138 1 0.000000 0.656692 0.612460 1 S S139 1 0.748588 0.042615 0.611013 1 S S140 1 0.833092 0.165877 0.610764 1 S S141 1 0.916565 0.289848 0.610873 1 S S142 1 0.000000 0.413697 0.611145 1 S S143 1 0.916484 0.040904 0.610534 1 S S144 1 -0.000000 0.165311 0.610664 1