# 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 0.750005 0.500000 1 W W2 1 0.083833 0.875473 0.500000 1 W W3 1 -0.000000 0.499796 0.500000 1 W W4 1 0.083561 0.624396 0.500000 1 W W5 1 0.167393 0.750142 0.500000 1 W W6 1 0.250217 0.875108 0.500000 1 W W7 1 -0.000000 0.249932 0.500000 1 W W8 1 0.083333 0.374915 0.500000 1 W W9 1 0.166641 0.499761 0.500000 1 W W10 1 0.249975 0.625036 0.500000 1 W W11 1 0.333576 0.750154 0.500000 1 W W12 1 0.416739 0.875054 0.500000 1 W W13 1 -0.000000 -0.000048 0.500000 1 W W14 1 0.083344 0.124936 0.500000 1 W W15 1 0.166655 0.249949 0.500000 1 W W16 1 0.249956 0.374962 0.500000 1 W W17 1 0.333294 0.500039 0.500000 1 W W18 1 0.416650 0.625078 0.500000 1 W W19 1 0.500000 0.750111 0.500000 1 W W20 1 0.583261 0.875054 0.500000 1 W W21 1 0.166934 0.000097 0.500000 1 W W22 1 0.250048 0.124974 0.500000 1 W W23 1 0.333329 0.249995 0.500000 1 W W24 1 0.416639 0.375020 0.500000 1 W W25 1 0.500000 0.500069 0.500000 1 W W26 1 0.583350 0.625078 0.500000 1 W W27 1 0.666424 0.750154 0.500000 1 W W28 1 0.749783 0.875108 0.500000 1 W W29 1 0.333398 0.000028 0.500000 1 W W30 1 0.416682 0.124987 0.500000 1 W W31 1 0.500000 0.250003 0.500000 1 W W32 1 0.583361 0.375020 0.500000 1 W W33 1 0.666706 0.500039 0.500000 1 W W34 1 0.750025 0.625036 0.500000 1 W W35 1 0.832607 0.750142 0.500000 1 W W36 1 0.916167 0.875473 0.500000 1 W W37 1 0.500000 0.000002 0.500000 1 W W38 1 0.583318 0.124987 0.500000 1 W W39 1 0.666671 0.249995 0.500000 1 W W40 1 0.750044 0.374962 0.500000 1 W W41 1 0.833359 0.499761 0.500000 1 W W42 1 0.916439 0.624396 0.500000 1 W W43 1 0.666602 0.000028 0.500000 1 W W44 1 0.749952 0.124974 0.500000 1 W W45 1 0.833345 0.249949 0.500000 1 W W46 1 0.916667 0.374915 0.500000 1 W W47 1 0.833066 0.000097 0.500000 1 W W48 1 0.916656 0.124936 0.500000 1 S S49 1 0.084859 0.792429 0.388231 1 S S50 1 0.167016 0.916948 0.389251 1 S S51 1 0.083447 0.541272 0.389246 1 S S52 1 0.166662 0.666676 0.389561 1 S S53 1 0.250467 0.791783 0.389249 1 S S54 1 0.333423 0.916705 0.389365 1 S S55 1 0.083310 0.291612 0.389427 1 S S56 1 0.166662 0.416537 0.389353 1 S S57 1 0.249951 0.541679 0.389432 1 S S58 1 0.333317 0.666722 0.389421 1 S S59 1 0.416786 0.791748 0.389330 1 S S60 1 0.500000 0.916703 0.389375 1 S S61 1 0.083358 0.041609 0.389431 1 S S62 1 0.166669 0.166612 0.389448 1 S S63 1 0.249980 0.291649 0.389442 1 S S64 1 0.333290 0.416690 0.389459 1 S S65 1 0.416643 0.541723 0.389452 1 S S66 1 0.500000 0.666735 0.389435 1 S S67 1 0.583214 0.791748 0.389330 1 S S68 1 0.666577 0.916705 0.389365 1 S S69 1 0.250124 0.041720 0.389344 1 S S70 1 0.333335 0.166655 0.389443 1 S S71 1 0.416665 0.291672 0.389455 1 S S72 1 0.500000 0.416713 0.389476 1 S S73 1 0.583357 0.541723 0.389452 1 S S74 1 0.666683 0.666722 0.389421 1 S S75 1 0.749533 0.791783 0.389249 1 S S76 1 0.832984 0.916948 0.389251 1 S S77 1 0.416698 0.041655 0.389415 1 S S78 1 0.500000 0.166664 0.389449 1 S S79 1 0.583335 0.291672 0.389455 1 S S80 1 0.666710 0.416690 0.389459 1 S S81 1 0.750049 0.541679 0.389432 1 S S82 1 0.833338 0.666676 0.389561 1 S S83 1 0.915141 0.792429 0.388231 1 S S84 1 -0.000000 0.916650 0.389561 1 S S85 1 0.583302 0.041655 0.389415 1 S S86 1 0.666665 0.166655 0.389443 1 S S87 1 0.750020 0.291649 0.389442 1 S S88 1 0.833338 0.416537 0.389353 1 S S89 1 0.916553 0.541272 0.389246 1 S S90 1 -0.000000 0.665143 0.388240 1 S S91 1 0.749876 0.041720 0.389344 1 S S92 1 0.833331 0.166612 0.389448 1 S S93 1 0.916690 0.291612 0.389427 1 S S94 1 0.000000 0.416571 0.389381 1 S S95 1 0.916642 0.041609 0.389431 1 S S96 1 -0.000000 0.166604 0.389443 1 S S97 1 0.084859 0.792429 0.611769 1 S S98 1 0.167016 0.916948 0.610749 1 S S99 1 0.083447 0.541272 0.610754 1 S S100 1 0.166662 0.666676 0.610439 1 S S101 1 0.250467 0.791783 0.610751 1 S S102 1 0.333423 0.916705 0.610635 1 S S103 1 0.083310 0.291612 0.610573 1 S S104 1 0.166662 0.416537 0.610647 1 S S105 1 0.249951 0.541679 0.610568 1 S S106 1 0.333317 0.666722 0.610579 1 S S107 1 0.416786 0.791748 0.610670 1 S S108 1 0.500000 0.916703 0.610625 1 S S109 1 0.083358 0.041609 0.610569 1 S S110 1 0.166669 0.166612 0.610552 1 S S111 1 0.249980 0.291649 0.610558 1 S S112 1 0.333290 0.416690 0.610541 1 S S113 1 0.416643 0.541723 0.610548 1 S S114 1 0.500000 0.666735 0.610565 1 S S115 1 0.583214 0.791748 0.610670 1 S S116 1 0.666577 0.916705 0.610635 1 S S117 1 0.250124 0.041720 0.610656 1 S S118 1 0.333335 0.166655 0.610557 1 S S119 1 0.416665 0.291672 0.610545 1 S S120 1 0.500000 0.416713 0.610524 1 S S121 1 0.583357 0.541723 0.610548 1 S S122 1 0.666683 0.666722 0.610579 1 S S123 1 0.749533 0.791783 0.610751 1 S S124 1 0.832984 0.916948 0.610749 1 S S125 1 0.416698 0.041655 0.610585 1 S S126 1 0.500000 0.166664 0.610551 1 S S127 1 0.583335 0.291672 0.610545 1 S S128 1 0.666710 0.416690 0.610541 1 S S129 1 0.750049 0.541679 0.610568 1 S S130 1 0.833338 0.666676 0.610439 1 S S131 1 0.915141 0.792429 0.611769 1 S S132 1 -0.000000 0.916650 0.610439 1 S S133 1 0.583302 0.041655 0.610585 1 S S134 1 0.666665 0.166655 0.610557 1 S S135 1 0.750020 0.291649 0.610558 1 S S136 1 0.833338 0.416537 0.610647 1 S S137 1 0.916553 0.541272 0.610754 1 S S138 1 0.000000 0.665143 0.611760 1 S S139 1 0.749876 0.041720 0.610656 1 S S140 1 0.833331 0.166612 0.610552 1 S S141 1 0.916690 0.291612 0.610573 1 S S142 1 0.000000 0.416571 0.610619 1 S S143 1 0.916642 0.041609 0.610569 1 S S144 1 0.000000 0.166604 0.610557 1