# 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 0.749817 0.500000 1 W W2 1 0.084707 0.875364 0.500000 1 W W3 1 0.000000 0.498926 0.500000 1 W W4 1 0.082834 0.623735 0.500000 1 W W5 1 0.167511 0.750986 0.500000 1 W W6 1 0.250920 0.875536 0.500000 1 W W7 1 -0.000000 0.249637 0.500000 1 W W8 1 0.083366 0.374463 0.500000 1 W W9 1 0.166748 0.499470 0.500000 1 W W10 1 0.249636 0.625196 0.500000 1 W W11 1 0.333744 0.750226 0.500000 1 W W12 1 0.416923 0.875284 0.500000 1 W W13 1 0.000000 -0.000346 0.500000 1 W W14 1 0.083365 0.124767 0.500000 1 W W15 1 0.166718 0.249747 0.500000 1 W W16 1 0.250076 0.374754 0.500000 1 W W17 1 0.333212 0.500080 0.500000 1 W W18 1 0.416582 0.625155 0.500000 1 W W19 1 0.500000 0.750159 0.500000 1 W W20 1 0.583077 0.875284 0.500000 1 W W21 1 0.167123 0.000278 0.500000 1 W W22 1 0.250190 0.125105 0.500000 1 W W23 1 0.333406 0.249993 0.500000 1 W W24 1 0.416663 0.375072 0.500000 1 W W25 1 0.500000 0.500112 0.500000 1 W W26 1 0.583418 0.625155 0.500000 1 W W27 1 0.666256 0.750226 0.500000 1 W W28 1 0.749080 0.875536 0.500000 1 W W29 1 0.333697 0.000293 0.500000 1 W W30 1 0.416755 0.125169 0.500000 1 W W31 1 0.500000 0.250106 0.500000 1 W W32 1 0.583337 0.375072 0.500000 1 W W33 1 0.666788 0.500080 0.500000 1 W W34 1 0.750364 0.625196 0.500000 1 W W35 1 0.832489 0.750986 0.500000 1 W W36 1 0.915293 0.875364 0.500000 1 W W37 1 0.500000 0.000253 0.500000 1 W W38 1 0.583245 0.125169 0.500000 1 W W39 1 0.666594 0.249993 0.500000 1 W W40 1 0.749924 0.374754 0.500000 1 W W41 1 0.833252 0.499470 0.500000 1 W W42 1 0.917166 0.623735 0.500000 1 W W43 1 0.666303 0.000293 0.500000 1 W W44 1 0.749810 0.125105 0.500000 1 W W45 1 0.833282 0.249747 0.500000 1 W W46 1 0.916634 0.374463 0.500000 1 W W47 1 0.832877 0.000278 0.500000 1 W W48 1 0.916635 0.124767 0.500000 1 S S49 1 0.084391 0.792303 0.390795 1 S S50 1 0.167625 0.917166 0.389119 1 S S51 1 0.083338 0.540612 0.389160 1 S S52 1 0.165800 0.667113 0.389799 1 S S53 1 0.250868 0.792182 0.389165 1 S S54 1 0.333952 0.917093 0.389059 1 S S55 1 0.083361 0.291255 0.389220 1 S S56 1 0.166734 0.416234 0.389242 1 S S57 1 0.249830 0.541775 0.389315 1 S S58 1 0.333145 0.666778 0.389305 1 S S59 1 0.416884 0.791872 0.389189 1 S S60 1 0.500000 0.916932 0.389147 1 S S61 1 0.083336 0.041444 0.389276 1 S S62 1 0.166666 0.166484 0.389248 1 S S63 1 0.250030 0.291489 0.389242 1 S S64 1 0.333303 0.416719 0.389304 1 S S65 1 0.416599 0.541784 0.389335 1 S S66 1 0.500000 0.666746 0.389303 1 S S67 1 0.583116 0.791872 0.389189 1 S S68 1 0.666048 0.917093 0.389059 1 S S69 1 0.250322 0.041890 0.389201 1 S S70 1 0.333436 0.166749 0.389202 1 S S71 1 0.416678 0.291747 0.389265 1 S S72 1 0.500000 0.416769 0.389302 1 S S73 1 0.583401 0.541784 0.389335 1 S S74 1 0.666855 0.666778 0.389305 1 S S75 1 0.749132 0.792182 0.389165 1 S S76 1 0.832375 0.917166 0.389119 1 S S77 1 0.416832 0.041919 0.389155 1 S S78 1 0.500000 0.166815 0.389213 1 S S79 1 0.583322 0.291747 0.389265 1 S S80 1 0.666697 0.416719 0.389304 1 S S81 1 0.750170 0.541775 0.389315 1 S S82 1 0.834200 0.667113 0.389799 1 S S83 1 0.915609 0.792303 0.390795 1 S S84 1 -0.000000 0.915900 0.389749 1 S S85 1 0.583168 0.041919 0.389155 1 S S86 1 0.666564 0.166749 0.389202 1 S S87 1 0.749970 0.291489 0.389242 1 S S88 1 0.833266 0.416234 0.389242 1 S S89 1 0.916662 0.540612 0.389160 1 S S90 1 0.000000 0.665410 0.390831 1 S S91 1 0.749678 0.041890 0.389201 1 S S92 1 0.833334 0.166484 0.389248 1 S S93 1 0.916639 0.291255 0.389220 1 S S94 1 0.000000 0.415837 0.389104 1 S S95 1 0.916664 0.041444 0.389276 1 S S96 1 0.000000 0.166379 0.389264 1 S S97 1 0.084391 0.792303 0.609205 1 S S98 1 0.167625 0.917166 0.610881 1 S S99 1 0.083338 0.540612 0.610840 1 S S100 1 0.165800 0.667113 0.610201 1 S S101 1 0.250868 0.792182 0.610835 1 S S102 1 0.333952 0.917093 0.610941 1 S S103 1 0.083361 0.291255 0.610780 1 S S104 1 0.166734 0.416234 0.610758 1 S S105 1 0.249830 0.541775 0.610686 1 S S106 1 0.333145 0.666778 0.610695 1 S S107 1 0.416884 0.791872 0.610811 1 S S108 1 0.500000 0.916932 0.610853 1 S S109 1 0.083336 0.041444 0.610724 1 S S110 1 0.166666 0.166484 0.610752 1 S S111 1 0.250030 0.291489 0.610758 1 S S112 1 0.333303 0.416719 0.610696 1 S S113 1 0.416599 0.541784 0.610665 1 S S114 1 0.500000 0.666746 0.610697 1 S S115 1 0.583116 0.791872 0.610811 1 S S116 1 0.666048 0.917093 0.610941 1 S S117 1 0.250322 0.041891 0.610799 1 S S118 1 0.333436 0.166749 0.610798 1 S S119 1 0.416678 0.291747 0.610735 1 S S120 1 0.500000 0.416769 0.610698 1 S S121 1 0.583401 0.541784 0.610665 1 S S122 1 0.666855 0.666778 0.610695 1 S S123 1 0.749132 0.792182 0.610835 1 S S124 1 0.832375 0.917166 0.610881 1 S S125 1 0.416832 0.041919 0.610845 1 S S126 1 0.500000 0.166815 0.610787 1 S S127 1 0.583322 0.291747 0.610735 1 S S128 1 0.666697 0.416719 0.610696 1 S S129 1 0.750170 0.541775 0.610686 1 S S130 1 0.834200 0.667113 0.610201 1 S S131 1 0.915609 0.792303 0.609205 1 S S132 1 0.000000 0.915900 0.610251 1 S S133 1 0.583168 0.041919 0.610845 1 S S134 1 0.666564 0.166749 0.610798 1 S S135 1 0.749970 0.291489 0.610758 1 S S136 1 0.833266 0.416234 0.610758 1 S S137 1 0.916662 0.540612 0.610840 1 S S138 1 0.000000 0.665410 0.609169 1 S S139 1 0.749678 0.041891 0.610799 1 S S140 1 0.833334 0.166484 0.610752 1 S S141 1 0.916639 0.291255 0.610779 1 S S142 1 -0.000000 0.415837 0.610896 1 S S143 1 0.916664 0.041444 0.610724 1 S S144 1 0.000000 0.166379 0.610736 1