# 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 0.750024 0.500000 1 W W2 1 0.084617 0.875823 0.500000 1 W W3 1 0.000000 0.499046 0.500000 1 W W4 1 0.083504 0.623590 0.500000 1 W W5 1 0.168102 0.750593 0.500000 1 W W6 1 0.250791 0.875492 0.500000 1 W W7 1 0.000000 0.249441 0.500000 1 W W8 1 0.083361 0.374283 0.500000 1 W W9 1 0.166393 0.499403 0.500000 1 W W10 1 0.249679 0.625219 0.500000 1 W W11 1 0.333665 0.750593 0.500000 1 W W12 1 0.416991 0.875444 0.500000 1 W W13 1 0.000000 -0.000419 0.500000 1 W W14 1 0.083431 0.124628 0.500000 1 W W15 1 0.166721 0.249613 0.500000 1 W W16 1 0.249995 0.374695 0.500000 1 W W17 1 0.333171 0.500071 0.500000 1 W W18 1 0.416606 0.625291 0.500000 1 W W19 1 0.500000 0.750390 0.500000 1 W W20 1 0.583009 0.875444 0.500000 1 W W21 1 0.167332 0.000029 0.500000 1 W W22 1 0.250248 0.125023 0.500000 1 W W23 1 0.333400 0.249969 0.500000 1 W W24 1 0.416641 0.375087 0.500000 1 W W25 1 0.500000 0.500209 0.500000 1 W W26 1 0.583394 0.625291 0.500000 1 W W27 1 0.666335 0.750593 0.500000 1 W W28 1 0.749209 0.875492 0.500000 1 W W29 1 0.333768 0.000372 0.500000 1 W W30 1 0.416789 0.125220 0.500000 1 W W31 1 0.500000 0.250128 0.500000 1 W W32 1 0.583359 0.375087 0.500000 1 W W33 1 0.666829 0.500071 0.500000 1 W W34 1 0.750321 0.625219 0.500000 1 W W35 1 0.831898 0.750593 0.500000 1 W W36 1 0.915383 0.875823 0.500000 1 W W37 1 0.500000 0.000363 0.500000 1 W W38 1 0.583211 0.125220 0.500000 1 W W39 1 0.666600 0.249969 0.500000 1 W W40 1 0.750005 0.374695 0.500000 1 W W41 1 0.833607 0.499403 0.500000 1 W W42 1 0.916496 0.623590 0.500000 1 W W43 1 0.666232 0.000372 0.500000 1 W W44 1 0.749752 0.125023 0.500000 1 W W45 1 0.833279 0.249613 0.500000 1 W W46 1 0.916639 0.374283 0.500000 1 W W47 1 0.832668 0.000029 0.500000 1 W W48 1 0.916569 0.124628 0.500000 1 S S49 1 0.083729 0.791893 0.390961 1 S S50 1 0.167581 0.916977 0.388874 1 S S51 1 0.083173 0.540746 0.388924 1 S S52 1 0.166063 0.666983 0.389776 1 S S53 1 0.250715 0.792277 0.388889 1 S S54 1 0.333893 0.917127 0.389173 1 S S55 1 0.083340 0.291077 0.389248 1 S S56 1 0.166617 0.416187 0.389276 1 S S57 1 0.249706 0.541734 0.389440 1 S S58 1 0.333159 0.666964 0.389419 1 S S59 1 0.416860 0.792067 0.389207 1 S S60 1 0.500000 0.917091 0.389121 1 S S61 1 0.083436 0.041287 0.389362 1 S S62 1 0.166696 0.166342 0.389272 1 S S63 1 0.249994 0.291427 0.389274 1 S S64 1 0.333236 0.416724 0.389359 1 S S65 1 0.416546 0.541888 0.389407 1 S S66 1 0.500000 0.666926 0.389368 1 S S67 1 0.583140 0.792067 0.389207 1 S S68 1 0.666107 0.917127 0.389173 1 S S69 1 0.250358 0.041812 0.389202 1 S S70 1 0.333451 0.166739 0.389220 1 S S71 1 0.416658 0.291775 0.389297 1 S S72 1 0.500000 0.416839 0.389363 1 S S73 1 0.583454 0.541888 0.389407 1 S S74 1 0.666841 0.666964 0.389419 1 S S75 1 0.749285 0.792277 0.388889 1 S S76 1 0.832419 0.916977 0.388875 1 S S77 1 0.416848 0.041993 0.389148 1 S S78 1 0.500000 0.166875 0.389212 1 S S79 1 0.583341 0.291775 0.389297 1 S S80 1 0.666764 0.416724 0.389359 1 S S81 1 0.750294 0.541734 0.389440 1 S S82 1 0.833937 0.666983 0.389776 1 S S83 1 0.916271 0.791893 0.390961 1 S S84 1 -0.000000 0.916027 0.389751 1 S S85 1 0.583152 0.041993 0.389148 1 S S86 1 0.666549 0.166739 0.389220 1 S S87 1 0.750006 0.291427 0.389274 1 S S88 1 0.833383 0.416187 0.389276 1 S S89 1 0.916827 0.540746 0.388924 1 S S90 1 0.000000 0.666229 0.390990 1 S S91 1 0.749642 0.041812 0.389202 1 S S92 1 0.833304 0.166342 0.389272 1 S S93 1 0.916660 0.291077 0.389248 1 S S94 1 -0.000000 0.415816 0.389260 1 S S95 1 0.916564 0.041287 0.389362 1 S S96 1 0.000000 0.166146 0.389298 1 S S97 1 0.083729 0.791893 0.609039 1 S S98 1 0.167581 0.916977 0.611126 1 S S99 1 0.083173 0.540746 0.611076 1 S S100 1 0.166063 0.666983 0.610224 1 S S101 1 0.250715 0.792277 0.611112 1 S S102 1 0.333893 0.917127 0.610828 1 S S103 1 0.083340 0.291077 0.610753 1 S S104 1 0.166617 0.416187 0.610724 1 S S105 1 0.249706 0.541734 0.610560 1 S S106 1 0.333159 0.666964 0.610581 1 S S107 1 0.416860 0.792067 0.610793 1 S S108 1 0.500000 0.917091 0.610879 1 S S109 1 0.083436 0.041287 0.610638 1 S S110 1 0.166696 0.166342 0.610728 1 S S111 1 0.249994 0.291427 0.610726 1 S S112 1 0.333236 0.416724 0.610641 1 S S113 1 0.416546 0.541888 0.610593 1 S S114 1 0.500000 0.666926 0.610632 1 S S115 1 0.583140 0.792067 0.610793 1 S S116 1 0.666107 0.917127 0.610828 1 S S117 1 0.250358 0.041812 0.610799 1 S S118 1 0.333451 0.166739 0.610780 1 S S119 1 0.416658 0.291775 0.610703 1 S S120 1 0.500000 0.416839 0.610638 1 S S121 1 0.583454 0.541888 0.610593 1 S S122 1 0.666841 0.666964 0.610581 1 S S123 1 0.749285 0.792277 0.611112 1 S S124 1 0.832419 0.916977 0.611126 1 S S125 1 0.416848 0.041993 0.610853 1 S S126 1 0.500000 0.166875 0.610788 1 S S127 1 0.583342 0.291775 0.610703 1 S S128 1 0.666764 0.416724 0.610641 1 S S129 1 0.750294 0.541734 0.610560 1 S S130 1 0.833937 0.666983 0.610224 1 S S131 1 0.916271 0.791893 0.609039 1 S S132 1 0.000000 0.916027 0.610249 1 S S133 1 0.583152 0.041993 0.610853 1 S S134 1 0.666549 0.166739 0.610780 1 S S135 1 0.750006 0.291427 0.610726 1 S S136 1 0.833383 0.416187 0.610724 1 S S137 1 0.916827 0.540746 0.611076 1 S S138 1 -0.000000 0.666229 0.609010 1 S S139 1 0.749642 0.041812 0.610799 1 S S140 1 0.833304 0.166342 0.610728 1 S S141 1 0.916660 0.291077 0.610753 1 S S142 1 0.000000 0.415816 0.610740 1 S S143 1 0.916564 0.041287 0.610638 1 S S144 1 0.000000 0.166146 0.610702 1