# generated using pymatgen data_CoW47S96 _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 CoW47S96 _chemical_formula_sum 'Co1 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 Co Co1 1 -0.000000 0.749872 0.500000 1 W W2 1 0.084688 0.876378 0.500000 1 W W3 1 -0.000000 0.498988 0.500001 1 W W4 1 0.083992 0.623233 0.500000 1 W W5 1 0.168598 0.750377 0.500000 1 W W6 1 0.250755 0.875502 0.500000 1 W W7 1 0.000000 0.249258 0.500000 1 W W8 1 0.083312 0.374124 0.500000 1 W W9 1 0.166136 0.499316 0.500000 1 W W10 1 0.249540 0.625285 0.500000 1 W W11 1 0.333606 0.750849 0.500000 1 W W12 1 0.417017 0.875551 0.500000 1 W W13 1 0.000000 -0.000592 0.500000 1 W W14 1 0.083495 0.124522 0.500000 1 W W15 1 0.166744 0.249492 0.500000 1 W W16 1 0.250004 0.374637 0.500000 1 W W17 1 0.333127 0.500079 0.500000 1 W W18 1 0.416644 0.625387 0.500000 1 W W19 1 0.500000 0.750464 0.500000 1 W W20 1 0.582983 0.875551 0.500000 1 W W21 1 0.167525 -0.000194 0.499999 1 W W22 1 0.250324 0.125048 0.499999 1 W W23 1 0.333408 0.249982 0.500000 1 W W24 1 0.416617 0.375202 0.500000 1 W W25 1 0.500000 0.500286 0.500000 1 W W26 1 0.583356 0.625387 0.500000 1 W W27 1 0.666394 0.750849 0.500000 1 W W28 1 0.749245 0.875502 0.500000 1 W W29 1 0.333868 0.000420 0.500000 1 W W30 1 0.416814 0.125332 0.499999 1 W W31 1 0.500000 0.250223 0.500000 1 W W32 1 0.583383 0.375202 0.500000 1 W W33 1 0.666873 0.500079 0.500000 1 W W34 1 0.750460 0.625285 0.500000 1 W W35 1 0.831402 0.750377 0.500000 1 W W36 1 0.915312 0.876378 0.500000 1 W W37 1 0.500000 0.000459 0.500000 1 W W38 1 0.583186 0.125332 0.500000 1 W W39 1 0.666592 0.249982 0.500000 1 W W40 1 0.749996 0.374637 0.500001 1 W W41 1 0.833864 0.499316 0.500001 1 W W42 1 0.916008 0.623233 0.500000 1 W W43 1 0.666132 0.000420 0.500000 1 W W44 1 0.749676 0.125048 0.500000 1 W W45 1 0.833256 0.249492 0.500001 1 W W46 1 0.916688 0.374124 0.500001 1 W W47 1 0.832475 -0.000194 0.500000 1 W W48 1 0.916505 0.124523 0.500000 1 S S49 1 0.083725 0.791916 0.391477 1 S S50 1 0.167667 0.916929 0.388738 1 S S51 1 0.083095 0.540636 0.388836 1 S S52 1 0.166083 0.666967 0.389813 1 S S53 1 0.250696 0.792361 0.388813 1 S S54 1 0.333894 0.917176 0.389273 1 S S55 1 0.083344 0.290911 0.389326 1 S S56 1 0.166529 0.416110 0.389385 1 S S57 1 0.249609 0.541701 0.389618 1 S S58 1 0.333141 0.667069 0.389606 1 S S59 1 0.416835 0.792176 0.389282 1 S S60 1 0.500000 0.917194 0.389172 1 S S61 1 0.083533 0.041176 0.389527 1 S S62 1 0.166736 0.166249 0.389350 1 S S63 1 0.249989 0.291376 0.389366 1 S S64 1 0.333191 0.416751 0.389445 1 S S65 1 0.416494 0.541965 0.389543 1 S S66 1 0.500000 0.667032 0.389433 1 S S67 1 0.583165 0.792176 0.389282 1 S S68 1 0.666106 0.917176 0.389273 1 S S69 1 0.250422 0.041773 0.389301 1 S S70 1 0.333497 0.166791 0.389288 1 S S71 1 0.416646 0.291883 0.389408 1 S S72 1 0.500000 0.416924 0.389440 1 S S73 1 0.583506 0.541965 0.389543 1 S S74 1 0.666859 0.667069 0.389606 1 S S75 1 0.749304 0.792361 0.388813 1 S S76 1 0.832333 0.916929 0.388738 1 S S77 1 0.416875 0.042119 0.389207 1 S S78 1 0.500000 0.166988 0.389292 1 S S79 1 0.583354 0.291883 0.389408 1 S S80 1 0.666809 0.416751 0.389444 1 S S81 1 0.750391 0.541701 0.389617 1 S S82 1 0.833917 0.666967 0.389813 1 S S83 1 0.916275 0.791916 0.391477 1 S S84 1 -0.000000 0.916046 0.389779 1 S S85 1 0.583125 0.042118 0.389208 1 S S86 1 0.666503 0.166791 0.389288 1 S S87 1 0.750011 0.291376 0.389366 1 S S88 1 0.833471 0.416110 0.389385 1 S S89 1 0.916905 0.540636 0.388836 1 S S90 1 0.000000 0.666116 0.391483 1 S S91 1 0.749578 0.041773 0.389301 1 S S92 1 0.833264 0.166249 0.389350 1 S S93 1 0.916656 0.290911 0.389326 1 S S94 1 0.000000 0.415702 0.389359 1 S S95 1 0.916467 0.041176 0.389527 1 S S96 1 0.000000 0.165943 0.389433 1 S S97 1 0.083725 0.791916 0.608523 1 S S98 1 0.167667 0.916929 0.611262 1 S S99 1 0.083095 0.540636 0.611164 1 S S100 1 0.166083 0.666967 0.610187 1 S S101 1 0.250696 0.792361 0.611187 1 S S102 1 0.333894 0.917176 0.610727 1 S S103 1 0.083344 0.290911 0.610674 1 S S104 1 0.166529 0.416110 0.610615 1 S S105 1 0.249609 0.541701 0.610382 1 S S106 1 0.333141 0.667069 0.610394 1 S S107 1 0.416835 0.792176 0.610719 1 S S108 1 0.500000 0.917194 0.610828 1 S S109 1 0.083533 0.041176 0.610474 1 S S110 1 0.166736 0.166249 0.610650 1 S S111 1 0.249989 0.291376 0.610634 1 S S112 1 0.333191 0.416751 0.610556 1 S S113 1 0.416494 0.541965 0.610457 1 S S114 1 0.500000 0.667032 0.610567 1 S S115 1 0.583165 0.792176 0.610719 1 S S116 1 0.666106 0.917176 0.610727 1 S S117 1 0.250422 0.041772 0.610699 1 S S118 1 0.333497 0.166791 0.610712 1 S S119 1 0.416646 0.291884 0.610592 1 S S120 1 0.500000 0.416924 0.610560 1 S S121 1 0.583506 0.541965 0.610457 1 S S122 1 0.666859 0.667069 0.610394 1 S S123 1 0.749304 0.792361 0.611187 1 S S124 1 0.832333 0.916929 0.611262 1 S S125 1 0.416874 0.042119 0.610791 1 S S126 1 0.500000 0.166988 0.610708 1 S S127 1 0.583354 0.291883 0.610592 1 S S128 1 0.666809 0.416751 0.610555 1 S S129 1 0.750391 0.541701 0.610382 1 S S130 1 0.833917 0.666967 0.610187 1 S S131 1 0.916275 0.791916 0.608523 1 S S132 1 0.000000 0.916046 0.610221 1 S S133 1 0.583125 0.042118 0.610793 1 S S134 1 0.666503 0.166791 0.610712 1 S S135 1 0.750011 0.291376 0.610634 1 S S136 1 0.833471 0.416110 0.610615 1 S S137 1 0.916905 0.540636 0.611164 1 S S138 1 -0.000000 0.666116 0.608517 1 S S139 1 0.749578 0.041773 0.610699 1 S S140 1 0.833264 0.166249 0.610650 1 S S141 1 0.916656 0.290911 0.610674 1 S S142 1 -0.000000 0.415702 0.610640 1 S S143 1 0.916467 0.041176 0.610474 1 S S144 1 -0.000000 0.165943 0.610567 1