# generated using pymatgen data_NbW47S96 _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 NbW47S96 _chemical_formula_sum 'Nb1 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 Nb Nb1 1 0.000000 0.750012 0.500000 1 W W2 1 0.084060 0.875343 0.500000 1 W W3 1 0.000000 0.499592 0.500000 1 W W4 1 0.083320 0.624300 0.500000 1 W W5 1 0.167379 0.750378 0.500000 1 W W6 1 0.250414 0.875201 0.500000 1 W W7 1 -0.000000 0.249898 0.500000 1 W W8 1 0.083335 0.374837 0.500000 1 W W9 1 0.166716 0.499669 0.500000 1 W W10 1 0.249902 0.625080 0.500000 1 W W11 1 0.333693 0.750147 0.500000 1 W W12 1 0.416791 0.875092 0.500000 1 W W13 1 -0.000000 -0.000125 0.500000 1 W W14 1 0.083338 0.124904 0.500000 1 W W15 1 0.166656 0.249924 0.500000 1 W W16 1 0.249984 0.374919 0.500000 1 W W17 1 0.333283 0.500060 0.500000 1 W W18 1 0.416638 0.625089 0.500000 1 W W19 1 0.500000 0.750118 0.500000 1 W W20 1 0.583209 0.875092 0.500000 1 W W21 1 0.166981 0.000188 0.500000 1 W W22 1 0.250077 0.125009 0.500000 1 W W23 1 0.333335 0.249992 0.500000 1 W W24 1 0.416644 0.375035 0.500000 1 W W25 1 0.500000 0.500080 0.500000 1 W W26 1 0.583362 0.625089 0.500000 1 W W27 1 0.666307 0.750147 0.500000 1 W W28 1 0.749586 0.875201 0.500000 1 W W29 1 0.333464 0.000068 0.500000 1 W W30 1 0.416694 0.124999 0.500000 1 W W31 1 0.500000 0.250010 0.500000 1 W W32 1 0.583356 0.375035 0.500000 1 W W33 1 0.666717 0.500060 0.500000 1 W W34 1 0.750098 0.625080 0.500000 1 W W35 1 0.832621 0.750378 0.500000 1 W W36 1 0.915940 0.875343 0.500000 1 W W37 1 0.500000 0.000023 0.500000 1 W W38 1 0.583306 0.124999 0.500000 1 W W39 1 0.666665 0.249992 0.500000 1 W W40 1 0.750016 0.374919 0.500000 1 W W41 1 0.833284 0.499669 0.500000 1 W W42 1 0.916680 0.624300 0.500000 1 W W43 1 0.666536 0.000068 0.500000 1 W W44 1 0.749923 0.125009 0.500000 1 W W45 1 0.833344 0.249924 0.500000 1 W W46 1 0.916665 0.374837 0.500000 1 W W47 1 0.833019 0.000188 0.500000 1 W W48 1 0.916662 0.124904 0.500000 1 S S49 1 0.085347 0.792672 0.387954 1 S S50 1 0.167170 0.917030 0.389310 1 S S51 1 0.083466 0.541117 0.389315 1 S S52 1 0.166489 0.666765 0.389678 1 S S53 1 0.250632 0.791851 0.389311 1 S S54 1 0.333544 0.916773 0.389310 1 S S55 1 0.083315 0.291558 0.389408 1 S S56 1 0.166688 0.416459 0.389345 1 S S57 1 0.249935 0.541718 0.389448 1 S S58 1 0.333283 0.666720 0.389431 1 S S59 1 0.416847 0.791774 0.389300 1 S S60 1 0.500000 0.916740 0.389337 1 S S61 1 0.083336 0.041572 0.389439 1 S S62 1 0.166661 0.166593 0.389433 1 S S63 1 0.249985 0.291617 0.389428 1 S S64 1 0.333290 0.416703 0.389452 1 S S65 1 0.416642 0.541736 0.389452 1 S S66 1 0.500000 0.666733 0.389424 1 S S67 1 0.583153 0.791774 0.389300 1 S S68 1 0.666456 0.916773 0.389310 1 S S69 1 0.250186 0.041776 0.389330 1 S S70 1 0.333360 0.166670 0.389425 1 S S71 1 0.416666 0.291683 0.389459 1 S S72 1 0.500000 0.416725 0.389473 1 S S73 1 0.583358 0.541736 0.389452 1 S S74 1 0.666717 0.666720 0.389431 1 S S75 1 0.749368 0.791851 0.389311 1 S S76 1 0.832830 0.917030 0.389310 1 S S77 1 0.416725 0.041683 0.389386 1 S S78 1 0.500000 0.166673 0.389431 1 S S79 1 0.583334 0.291683 0.389459 1 S S80 1 0.666710 0.416703 0.389452 1 S S81 1 0.750065 0.541718 0.389448 1 S S82 1 0.833511 0.666765 0.389678 1 S S83 1 0.914653 0.792672 0.387954 1 S S84 1 0.000000 0.916477 0.389683 1 S S85 1 0.583275 0.041683 0.389386 1 S S86 1 0.666640 0.166670 0.389425 1 S S87 1 0.750015 0.291617 0.389428 1 S S88 1 0.833312 0.416459 0.389345 1 S S89 1 0.916534 0.541117 0.389315 1 S S90 1 0.000000 0.664674 0.387968 1 S S91 1 0.749814 0.041776 0.389330 1 S S92 1 0.833339 0.166593 0.389433 1 S S93 1 0.916685 0.291558 0.389408 1 S S94 1 -0.000000 0.416444 0.389336 1 S S95 1 0.916664 0.041572 0.389439 1 S S96 1 0.000000 0.166573 0.389437 1 S S97 1 0.085347 0.792672 0.612046 1 S S98 1 0.167170 0.917030 0.610690 1 S S99 1 0.083466 0.541117 0.610685 1 S S100 1 0.166489 0.666765 0.610322 1 S S101 1 0.250632 0.791851 0.610689 1 S S102 1 0.333544 0.916773 0.610690 1 S S103 1 0.083315 0.291558 0.610592 1 S S104 1 0.166688 0.416459 0.610655 1 S S105 1 0.249935 0.541718 0.610552 1 S S106 1 0.333283 0.666720 0.610569 1 S S107 1 0.416847 0.791774 0.610700 1 S S108 1 0.500000 0.916740 0.610663 1 S S109 1 0.083336 0.041572 0.610561 1 S S110 1 0.166661 0.166593 0.610567 1 S S111 1 0.249985 0.291617 0.610572 1 S S112 1 0.333290 0.416703 0.610548 1 S S113 1 0.416642 0.541736 0.610548 1 S S114 1 0.500000 0.666733 0.610576 1 S S115 1 0.583153 0.791774 0.610700 1 S S116 1 0.666456 0.916773 0.610690 1 S S117 1 0.250186 0.041776 0.610670 1 S S118 1 0.333360 0.166670 0.610575 1 S S119 1 0.416666 0.291683 0.610541 1 S S120 1 0.500000 0.416725 0.610527 1 S S121 1 0.583358 0.541736 0.610548 1 S S122 1 0.666717 0.666720 0.610569 1 S S123 1 0.749368 0.791851 0.610689 1 S S124 1 0.832830 0.917030 0.610690 1 S S125 1 0.416725 0.041683 0.610614 1 S S126 1 0.500000 0.166673 0.610569 1 S S127 1 0.583334 0.291683 0.610541 1 S S128 1 0.666710 0.416703 0.610548 1 S S129 1 0.750065 0.541718 0.610552 1 S S130 1 0.833511 0.666765 0.610322 1 S S131 1 0.914653 0.792672 0.612046 1 S S132 1 -0.000000 0.916477 0.610317 1 S S133 1 0.583275 0.041683 0.610614 1 S S134 1 0.666640 0.166670 0.610575 1 S S135 1 0.750015 0.291617 0.610572 1 S S136 1 0.833312 0.416459 0.610655 1 S S137 1 0.916534 0.541117 0.610685 1 S S138 1 0.000000 0.664674 0.612032 1 S S139 1 0.749814 0.041776 0.610670 1 S S140 1 0.833339 0.166593 0.610567 1 S S141 1 0.916685 0.291558 0.610592 1 S S142 1 -0.000000 0.416444 0.610664 1 S S143 1 0.916664 0.041572 0.610561 1 S S144 1 -0.000000 0.166573 0.610563 1