# generated using pymatgen data_Co5Sb15I _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.89161553 _cell_length_b 7.89161553 _cell_length_c 32.74603272 _cell_angle_alpha 80.81489524 _cell_angle_beta 80.81489524 _cell_angle_gamma 70.49265761 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co5Sb15I _chemical_formula_sum 'Co20 Sb60 I4' _cell_volume 1885.20717692 _cell_formula_units_Z 4 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 Co0 1 0.09997300 0.60003400 0.79994800 1.0 Co Co1 1 0.50000000 0.00000000 0.00000000 1.0 Co Co2 1 0.90002700 0.39996600 0.20005200 1.0 Co Co3 1 0.29872600 0.80010500 0.40067000 1.0 Co Co4 1 0.70127400 0.19989400 0.59933000 1.0 Co Co5 1 0.29996000 0.80017000 0.90003500 1.0 Co Co6 1 0.70004000 0.19983000 0.09996500 1.0 Co Co7 1 0.09999400 0.59991500 0.30017300 1.0 Co Co8 1 0.50000000 0.00000000 0.50000000 1.0 Co Co9 1 0.90000600 0.40008500 0.69982700 1.0 Co Co10 1 0.80017000 0.29996000 0.90003500 1.0 Co Co11 1 0.19983000 0.70004000 0.09996500 1.0 Co Co12 1 0.59991500 0.09999400 0.30017300 1.0 Co Co13 1 0.00000000 0.50000000 0.50000000 1.0 Co Co14 1 0.40008500 0.90000600 0.69982700 1.0 Co Co15 1 0.60003400 0.09997300 0.79994800 1.0 Co Co16 1 0.00000000 0.50000000 0.00000000 1.0 Co Co17 1 0.39996600 0.90002700 0.20005200 1.0 Co Co18 1 0.80010600 0.29872600 0.40067000 1.0 Co Co19 1 0.19989500 0.70127400 0.59933000 1.0 Sb Sb20 1 0.16232200 0.84116700 0.83279700 1.0 Sb Sb21 1 0.56250400 0.24111000 0.03279800 1.0 Sb Sb22 1 0.96225400 0.64145800 0.23276600 1.0 Sb Sb23 1 0.36065300 0.04075700 0.43308000 1.0 Sb Sb24 1 0.76133300 0.44130600 0.63282700 1.0 Sb Sb25 1 0.03774600 0.35854200 0.76723400 1.0 Sb Sb26 1 0.43749600 0.75889000 0.96720200 1.0 Sb Sb27 1 0.83767800 0.15883300 0.16720300 1.0 Sb Sb28 1 0.23866700 0.55869400 0.36717300 1.0 Sb Sb29 1 0.63934700 0.95924300 0.56692000 1.0 Sb Sb30 1 0.84116700 0.16232200 0.83279700 1.0 Sb Sb31 1 0.24111000 0.56250400 0.03279800 1.0 Sb Sb32 1 0.64145800 0.96225400 0.23276600 1.0 Sb Sb33 1 0.04075700 0.36065300 0.43308000 1.0 Sb Sb34 1 0.44130600 0.76133300 0.63282700 1.0 Sb Sb35 1 0.35854200 0.03774600 0.76723400 1.0 Sb Sb36 1 0.75889000 0.43749600 0.96720200 1.0 Sb Sb37 1 0.15883300 0.83767800 0.16720300 1.0 Sb Sb38 1 0.55869400 0.23866700 0.36717300 1.0 Sb Sb39 1 0.95924300 0.63934700 0.56692000 1.0 Sb Sb40 1 0.12835800 0.80038200 0.73196500 1.0 Sb Sb41 1 0.52825500 0.20046300 0.93198500 1.0 Sb Sb42 1 0.92820800 0.60023500 0.13200400 1.0 Sb Sb43 1 0.32786300 0.00017500 0.33204600 1.0 Sb Sb44 1 0.73041100 0.39850000 0.53192200 1.0 Sb Sb45 1 0.07179200 0.39976500 0.86799600 1.0 Sb Sb46 1 0.47174500 0.79953700 0.06801500 1.0 Sb Sb47 1 0.87164200 0.19961800 0.26803500 1.0 Sb Sb48 1 0.26958900 0.60150000 0.46807800 1.0 Sb Sb49 1 0.67213700 0.99982500 0.66795400 1.0 Sb Sb50 1 0.39976500 0.07179200 0.86799600 1.0 Sb Sb51 1 0.79953700 0.47174500 0.06801500 1.0 Sb Sb52 1 0.19961800 0.87164200 0.26803500 1.0 Sb Sb53 1 0.60150000 0.26958900 0.46807800 1.0 Sb Sb54 1 0.99982500 0.67213700 0.66795400 1.0 Sb Sb55 1 0.80038200 0.12835800 0.73196500 1.0 Sb Sb56 1 0.20046300 0.52825500 0.93198500 1.0 Sb Sb57 1 0.60023500 0.92820800 0.13200400 1.0 Sb Sb58 1 0.00017500 0.32786300 0.33204600 1.0 Sb Sb59 1 0.39850000 0.73041100 0.53192200 1.0 Sb Sb60 1 0.56924300 0.56924300 0.86497600 1.0 Sb Sb61 1 0.96934300 0.96934300 0.06500600 1.0 Sb Sb62 1 0.36949700 0.36949700 0.26504700 1.0 Sb Sb63 1 0.77026000 0.77026000 0.46515700 1.0 Sb Sb64 1 0.16964000 0.16964000 0.66495400 1.0 Sb Sb65 1 0.63050300 0.63050300 0.73495300 1.0 Sb Sb66 1 0.03065700 0.03065700 0.93499400 1.0 Sb Sb67 1 0.43075700 0.43075700 0.13502400 1.0 Sb Sb68 1 0.83036000 0.83036000 0.33504600 1.0 Sb Sb69 1 0.22974000 0.22974000 0.53484300 1.0 Sb Sb70 1 0.76236400 0.76236400 0.80082100 1.0 Sb Sb71 1 0.16252400 0.16252400 0.00070600 1.0 Sb Sb72 1 0.56233700 0.56233700 0.20066200 1.0 Sb Sb73 1 0.96248600 0.96248600 0.40113300 1.0 Sb Sb74 1 0.36208500 0.36208500 0.60093800 1.0 Sb Sb75 1 0.43766300 0.43766300 0.79933800 1.0 Sb Sb76 1 0.83747600 0.83747600 0.99929300 1.0 Sb Sb77 1 0.23763600 0.23763600 0.19917900 1.0 Sb Sb78 1 0.63791500 0.63791500 0.39906200 1.0 Sb Sb79 1 0.03751400 0.03751400 0.59886700 1.0 I I80 1 0.40029000 0.40029000 0.69965400 1.0 I I81 1 0.79995300 0.79995300 0.90000100 1.0 I I82 1 0.20004700 0.20004700 0.09999900 1.0 I I83 1 0.59971000 0.59971000 0.30034600 1.0