# generated using pymatgen data_TaW48S95 _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 TaW48S95 _chemical_formula_sum 'Ta1 W48 S95' _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 Ta Ta1 1 0.083334 0.792228 0.382562 1 W W2 1 0.001348 0.750632 0.514716 1 W W3 1 0.083333 0.873837 0.515159 1 W W4 1 -0.000113 0.500016 0.500222 1 W W5 1 0.083333 0.624731 0.506357 1 W W6 1 0.165318 0.750632 0.514718 1 W W7 1 0.250233 0.875082 0.506177 1 W W8 1 0.000044 0.249934 0.497958 1 W W9 1 0.083333 0.375050 0.498445 1 W W10 1 0.166780 0.500016 0.500221 1 W W11 1 0.249177 0.625738 0.502291 1 W W12 1 0.332155 0.750195 0.502062 1 W W13 1 0.416713 0.874810 0.499872 1 W W14 1 0.000336 -0.000982 0.502535 1 W W15 1 0.083333 0.124667 0.499366 1 W W16 1 0.166623 0.249933 0.497957 1 W W17 1 0.250001 0.375049 0.497821 1 W W18 1 0.333168 0.500308 0.498250 1 W W19 1 0.416329 0.625177 0.498705 1 W W20 1 0.499746 0.749891 0.498172 1 W W21 1 0.583333 0.874823 0.498089 1 W W22 1 0.166330 -0.000982 0.502535 1 W W23 1 0.249805 0.124764 0.498569 1 W W24 1 0.333252 0.249971 0.497269 1 W W25 1 0.416593 0.375142 0.497000 1 W W26 1 0.499925 0.500158 0.497195 1 W W27 1 0.583333 0.625031 0.497531 1 W W28 1 0.666921 0.749891 0.498172 1 W W29 1 0.749953 0.874810 0.499872 1 W W30 1 0.333268 0.000049 0.500057 1 W W31 1 0.416613 0.124997 0.497651 1 W W32 1 0.499968 0.250072 0.496811 1 W W33 1 0.583333 0.375132 0.496684 1 W W34 1 0.666742 0.500158 0.497195 1 W W35 1 0.750337 0.625177 0.498705 1 W W36 1 0.834512 0.750195 0.502062 1 W W37 1 0.916434 0.875082 0.506177 1 W W38 1 0.499965 -0.000111 0.498176 1 W W39 1 0.583333 0.124980 0.497259 1 W W40 1 0.666698 0.250072 0.496811 1 W W41 1 0.750074 0.375142 0.497000 1 W W42 1 0.833499 0.500308 0.498251 1 W W43 1 0.917490 0.625738 0.502291 1 W W44 1 0.666702 -0.000111 0.498176 1 W W45 1 0.750053 0.124997 0.497651 1 W W46 1 0.833415 0.249971 0.497270 1 W W47 1 0.916667 0.375049 0.497821 1 W W48 1 0.833398 0.000049 0.500057 1 W W49 1 0.916862 0.124764 0.498569 1 S S50 1 0.164455 0.911927 0.395345 1 S S51 1 0.083333 0.543129 0.391661 1 S S52 1 0.162948 0.670575 0.395317 1 S S53 1 0.244010 0.792457 0.395069 1 S S54 1 0.331809 0.915907 0.391416 1 S S55 1 0.083333 0.291799 0.387341 1 S S56 1 0.166470 0.417357 0.387992 1 S S57 1 0.249002 0.543244 0.389503 1 S S58 1 0.331566 0.667473 0.390282 1 S S59 1 0.414685 0.791474 0.389257 1 S S60 1 0.499430 0.916275 0.387841 1 S S61 1 0.083333 0.040049 0.390780 1 S S62 1 0.166334 0.166090 0.387852 1 S S63 1 0.249716 0.291700 0.386855 1 S S64 1 0.332918 0.417195 0.386896 1 S S65 1 0.416081 0.542212 0.387211 1 S S66 1 0.499400 0.666755 0.387277 1 S S67 1 0.583333 0.791481 0.387350 1 S S68 1 0.667237 0.916275 0.387841 1 S S69 1 0.248797 0.040226 0.389662 1 S S70 1 0.332854 0.166209 0.387047 1 S S71 1 0.416422 0.291711 0.386215 1 S S72 1 0.499825 0.416924 0.386144 1 S S73 1 0.583333 0.541895 0.386450 1 S S74 1 0.667267 0.666755 0.387277 1 S S75 1 0.751981 0.791474 0.389257 1 S S76 1 0.834857 0.915907 0.391416 1 S S77 1 0.416037 0.041165 0.387800 1 S S78 1 0.499843 0.166455 0.386439 1 S S79 1 0.583333 0.291704 0.385966 1 S S80 1 0.666841 0.416924 0.386144 1 S S81 1 0.750586 0.542212 0.387210 1 S S82 1 0.835100 0.667473 0.390282 1 S S83 1 0.922656 0.792457 0.395069 1 S S84 1 0.002211 0.911927 0.395345 1 S S85 1 0.583333 0.041268 0.387097 1 S S86 1 0.666824 0.166455 0.386439 1 S S87 1 0.750245 0.291711 0.386215 1 S S88 1 0.833749 0.417196 0.386897 1 S S89 1 0.917664 0.543244 0.389503 1 S S90 1 0.003718 0.670574 0.395317 1 S S91 1 0.750629 0.041165 0.387800 1 S S92 1 0.833813 0.166209 0.387047 1 S S93 1 0.916951 0.291700 0.386855 1 S S94 1 0.000197 0.417357 0.387993 1 S S95 1 0.917869 0.040226 0.389662 1 S S96 1 0.000333 0.166090 0.387852 1 S S97 1 0.083333 0.791629 0.629121 1 S S98 1 0.169961 0.918379 0.618880 1 S S99 1 0.083333 0.539365 0.612762 1 S S100 1 0.166855 0.663450 0.618732 1 S S101 1 0.253320 0.793081 0.618526 1 S S102 1 0.335674 0.917726 0.612453 1 S S103 1 0.083333 0.291525 0.608828 1 S S104 1 0.167002 0.415943 0.609542 1 S S105 1 0.250703 0.541163 0.610715 1 S S106 1 0.333938 0.666396 0.611444 1 S S107 1 0.417488 0.791336 0.610419 1 S S108 1 0.500674 0.916745 0.609360 1 S S109 1 0.083333 0.042168 0.611935 1 S S110 1 0.166797 0.166908 0.609310 1 S S111 1 0.250221 0.291594 0.608361 1 S S112 1 0.333598 0.416558 0.608336 1 S S113 1 0.416963 0.541513 0.608719 1 S S114 1 0.500254 0.666521 0.608753 1 S S115 1 0.583333 0.791447 0.608673 1 S S116 1 0.665992 0.916745 0.609360 1 S S117 1 0.250301 0.042365 0.610823 1 S S118 1 0.333508 0.166900 0.608465 1 S S119 1 0.416760 0.291758 0.607689 1 S S120 1 0.500077 0.416658 0.607637 1 S S121 1 0.583333 0.541588 0.607991 1 S S122 1 0.666412 0.666521 0.608753 1 S S123 1 0.749178 0.791336 0.610419 1 S S124 1 0.830992 0.917726 0.612453 1 S S125 1 0.417287 0.042238 0.609296 1 S S126 1 0.500124 0.166941 0.607918 1 S S127 1 0.583333 0.291810 0.607453 1 S S128 1 0.666590 0.416658 0.607637 1 S S129 1 0.749703 0.541513 0.608719 1 S S130 1 0.832729 0.666396 0.611444 1 S S131 1 0.913347 0.793081 0.618525 1 S S132 1 -0.003294 0.918379 0.618880 1 S S133 1 0.583333 0.041903 0.608524 1 S S134 1 0.666542 0.166941 0.607918 1 S S135 1 0.749907 0.291758 0.607689 1 S S136 1 0.833069 0.416558 0.608336 1 S S137 1 0.915964 0.541163 0.610715 1 S S138 1 -0.000188 0.663450 0.618732 1 S S139 1 0.749379 0.042238 0.609296 1 S S140 1 0.833159 0.166900 0.608465 1 S S141 1 0.916445 0.291594 0.608361 1 S S142 1 -0.000335 0.415943 0.609542 1 S S143 1 0.916366 0.042365 0.610823 1 S S144 1 -0.000130 0.166908 0.609310 1