# generated using pymatgen data_TaW47S96 _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 TaW47S96 _chemical_formula_sum 'Ta1 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 Ta Ta1 1 0.000000 0.750055 0.500000 1 W W2 1 0.084164 0.875791 0.500000 1 W W3 1 -0.000000 0.499337 0.500000 1 W W4 1 0.083679 0.623955 0.500000 1 W W5 1 0.167872 0.750256 0.500000 1 W W6 1 0.250618 0.875355 0.500000 1 W W7 1 0.000000 0.249874 0.500000 1 W W8 1 0.083399 0.374615 0.500000 1 W W9 1 0.166915 0.499414 0.500000 1 W W10 1 0.250114 0.624935 0.500000 1 W W11 1 0.333930 0.750117 0.500000 1 W W12 1 0.416920 0.875207 0.500000 1 W W13 1 -0.000000 0.000140 0.500000 1 W W14 1 0.083403 0.125105 0.500000 1 W W15 1 0.166739 0.249912 0.500000 1 W W16 1 0.250125 0.374760 0.500000 1 W W17 1 0.333444 0.499862 0.500000 1 W W18 1 0.416787 0.624962 0.500000 1 W W19 1 0.500000 0.750095 0.500000 1 W W20 1 0.583080 0.875207 0.500000 1 W W21 1 0.167121 0.000471 0.500000 1 W W22 1 0.250187 0.125182 0.500000 1 W W23 1 0.333422 0.249994 0.500000 1 W W24 1 0.416712 0.374951 0.500000 1 W W25 1 0.500000 0.499947 0.500000 1 W W26 1 0.583213 0.624962 0.500000 1 W W27 1 0.666070 0.750117 0.500000 1 W W28 1 0.749382 0.875355 0.500000 1 W W29 1 0.333638 0.000269 0.500000 1 W W30 1 0.416744 0.125121 0.500000 1 W W31 1 0.500000 0.250025 0.500000 1 W W32 1 0.583288 0.374951 0.500000 1 W W33 1 0.666556 0.499862 0.500000 1 W W34 1 0.749886 0.624935 0.500000 1 W W35 1 0.832128 0.750256 0.500000 1 W W36 1 0.915836 0.875791 0.500000 1 W W37 1 0.500000 0.000180 0.500000 1 W W38 1 0.583256 0.125121 0.500000 1 W W39 1 0.666578 0.249994 0.500000 1 W W40 1 0.749875 0.374760 0.500000 1 W W41 1 0.833085 0.499414 0.500000 1 W W42 1 0.916321 0.623955 0.500000 1 W W43 1 0.666362 0.000269 0.500000 1 W W44 1 0.749813 0.125182 0.500000 1 W W45 1 0.833261 0.249912 0.500000 1 W W46 1 0.916601 0.374615 0.500000 1 W W47 1 0.832879 0.000471 0.500000 1 W W48 1 0.916597 0.125105 0.500000 1 S S49 1 0.085236 0.792629 0.388761 1 S S50 1 0.167404 0.917298 0.389326 1 S S51 1 0.083585 0.540771 0.389335 1 S S52 1 0.166828 0.666585 0.389674 1 S S53 1 0.250961 0.791939 0.389323 1 S S54 1 0.333787 0.916974 0.389174 1 S S55 1 0.083365 0.291438 0.389186 1 S S56 1 0.166805 0.416200 0.389182 1 S S57 1 0.250115 0.541478 0.389329 1 S S58 1 0.333531 0.666663 0.389329 1 S S59 1 0.416990 0.791850 0.389145 1 S S60 1 0.500000 0.916893 0.389145 1 S S61 1 0.083456 0.041823 0.389317 1 S S62 1 0.166741 0.166688 0.389209 1 S S63 1 0.250074 0.291524 0.389190 1 S S64 1 0.333399 0.416559 0.389232 1 S S65 1 0.416713 0.541615 0.389252 1 S S66 1 0.500000 0.666678 0.389235 1 S S67 1 0.583010 0.791850 0.389145 1 S S68 1 0.666213 0.916974 0.389174 1 S S69 1 0.250373 0.041992 0.389169 1 S S70 1 0.333463 0.166764 0.389178 1 S S71 1 0.416703 0.291666 0.389216 1 S S72 1 0.500000 0.416632 0.389235 1 S S73 1 0.583287 0.541615 0.389252 1 S S74 1 0.666469 0.666663 0.389329 1 S S75 1 0.749039 0.791939 0.389323 1 S S76 1 0.832596 0.917298 0.389326 1 S S77 1 0.416804 0.041854 0.389154 1 S S78 1 0.500000 0.166748 0.389191 1 S S79 1 0.583297 0.291666 0.389216 1 S S80 1 0.666601 0.416559 0.389232 1 S S81 1 0.749885 0.541478 0.389329 1 S S82 1 0.833172 0.666585 0.389674 1 S S83 1 0.914764 0.792629 0.388761 1 S S84 1 0.000000 0.916851 0.389655 1 S S85 1 0.583196 0.041854 0.389154 1 S S86 1 0.666537 0.166764 0.389178 1 S S87 1 0.749926 0.291524 0.389190 1 S S88 1 0.833195 0.416200 0.389182 1 S S89 1 0.916415 0.540771 0.389335 1 S S90 1 0.000000 0.664766 0.388797 1 S S91 1 0.749627 0.041992 0.389169 1 S S92 1 0.833259 0.166688 0.389209 1 S S93 1 0.916635 0.291438 0.389186 1 S S94 1 -0.000000 0.416123 0.389201 1 S S95 1 0.916544 0.041823 0.389317 1 S S96 1 -0.000000 0.166646 0.389221 1 S S97 1 0.085236 0.792629 0.611239 1 S S98 1 0.167404 0.917298 0.610674 1 S S99 1 0.083585 0.540771 0.610665 1 S S100 1 0.166828 0.666585 0.610326 1 S S101 1 0.250961 0.791939 0.610677 1 S S102 1 0.333787 0.916974 0.610826 1 S S103 1 0.083365 0.291438 0.610814 1 S S104 1 0.166805 0.416200 0.610818 1 S S105 1 0.250115 0.541478 0.610671 1 S S106 1 0.333531 0.666663 0.610671 1 S S107 1 0.416990 0.791850 0.610855 1 S S108 1 0.500000 0.916893 0.610855 1 S S109 1 0.083456 0.041823 0.610683 1 S S110 1 0.166741 0.166688 0.610792 1 S S111 1 0.250074 0.291524 0.610810 1 S S112 1 0.333399 0.416559 0.610768 1 S S113 1 0.416713 0.541615 0.610748 1 S S114 1 0.500000 0.666678 0.610765 1 S S115 1 0.583010 0.791850 0.610855 1 S S116 1 0.666213 0.916974 0.610826 1 S S117 1 0.250373 0.041992 0.610831 1 S S118 1 0.333463 0.166764 0.610822 1 S S119 1 0.416703 0.291666 0.610784 1 S S120 1 0.500000 0.416632 0.610765 1 S S121 1 0.583287 0.541615 0.610748 1 S S122 1 0.666469 0.666663 0.610671 1 S S123 1 0.749039 0.791939 0.610677 1 S S124 1 0.832596 0.917298 0.610674 1 S S125 1 0.416804 0.041854 0.610846 1 S S126 1 0.500000 0.166748 0.610809 1 S S127 1 0.583297 0.291666 0.610784 1 S S128 1 0.666601 0.416559 0.610768 1 S S129 1 0.749885 0.541478 0.610671 1 S S130 1 0.833172 0.666585 0.610326 1 S S131 1 0.914764 0.792629 0.611239 1 S S132 1 -0.000000 0.916851 0.610345 1 S S133 1 0.583196 0.041854 0.610846 1 S S134 1 0.666537 0.166764 0.610822 1 S S135 1 0.749926 0.291524 0.610810 1 S S136 1 0.833195 0.416200 0.610818 1 S S137 1 0.916415 0.540771 0.610665 1 S S138 1 -0.000000 0.664766 0.611203 1 S S139 1 0.749627 0.041992 0.610831 1 S S140 1 0.833259 0.166688 0.610792 1 S S141 1 0.916635 0.291438 0.610814 1 S S142 1 0.000000 0.416123 0.610799 1 S S143 1 0.916544 0.041823 0.610683 1 S S144 1 0.000000 0.166646 0.610779 1