# generated using pymatgen data_CaCoBiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56914800 _cell_length_b 11.34785300 _cell_length_c 15.51648500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCoBiO5 _chemical_formula_sum 'Ca8 Co8 Bi8 O40' _cell_volume 980.60884594 _cell_formula_units_Z 8 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 Ca Ca0 1 0.50327500 0.35944400 0.44917500 1.0 Ca Ca1 1 0.00327500 0.14055600 0.44917500 1.0 Ca Ca2 1 0.00327500 0.64055600 0.05082500 1.0 Ca Ca3 1 0.99672500 0.35944400 0.94917500 1.0 Ca Ca4 1 0.49672500 0.14055600 0.94917500 1.0 Ca Ca5 1 0.99672500 0.85944400 0.55082500 1.0 Ca Ca6 1 0.49672500 0.64055600 0.55082500 1.0 Ca Ca7 1 0.50327500 0.85944400 0.05082500 1.0 Co Co8 1 0.98190500 0.40559400 0.59930300 1.0 Co Co9 1 0.51809500 0.90559400 0.40069700 1.0 Co Co10 1 0.01809500 0.59440600 0.40069700 1.0 Co Co11 1 0.48190500 0.09440600 0.59930300 1.0 Co Co12 1 0.01809500 0.09440600 0.09930300 1.0 Co Co13 1 0.98190500 0.90559400 0.90069700 1.0 Co Co14 1 0.51809500 0.40559400 0.09930300 1.0 Co Co15 1 0.48190500 0.59440600 0.90069700 1.0 Bi Bi16 1 0.94468500 0.84413300 0.23251300 1.0 Bi Bi17 1 0.05531500 0.15586700 0.76748700 1.0 Bi Bi18 1 0.55531500 0.34413300 0.76748700 1.0 Bi Bi19 1 0.05531500 0.65586700 0.73251300 1.0 Bi Bi20 1 0.44468500 0.15586700 0.26748700 1.0 Bi Bi21 1 0.44468500 0.65586700 0.23251300 1.0 Bi Bi22 1 0.55531500 0.84413300 0.73251300 1.0 Bi Bi23 1 0.94468500 0.34413300 0.26748700 1.0 O O24 1 0.92810000 0.32485300 0.69791400 1.0 O O25 1 0.30666200 0.04770300 0.07057100 1.0 O O26 1 0.19333800 0.54770300 0.92942900 1.0 O O27 1 0.23862200 0.77106700 0.15151400 1.0 O O28 1 0.26137800 0.27106700 0.84848600 1.0 O O29 1 0.92810000 0.82485300 0.80208600 1.0 O O30 1 0.26137800 0.77106700 0.65151400 1.0 O O31 1 0.57190000 0.82485300 0.30208600 1.0 O O32 1 0.30666200 0.54770300 0.42942900 1.0 O O33 1 0.07190000 0.67514700 0.30208600 1.0 O O34 1 0.57190000 0.32485300 0.19791400 1.0 O O35 1 0.62427000 0.18027400 0.52346300 1.0 O O36 1 0.80666200 0.95229700 0.42942900 1.0 O O37 1 0.76137800 0.72893300 0.65151400 1.0 O O38 1 0.17382400 0.02596700 0.86866600 1.0 O O39 1 0.80666200 0.45229700 0.07057100 1.0 O O40 1 0.07190000 0.17514700 0.19791400 1.0 O O41 1 0.73862200 0.22893300 0.34848600 1.0 O O42 1 0.12427000 0.81972600 0.97653700 1.0 O O43 1 0.19333800 0.04770300 0.57057100 1.0 O O44 1 0.37573000 0.81972600 0.47653700 1.0 O O45 1 0.82617600 0.97403300 0.13133400 1.0 O O46 1 0.76137800 0.22893300 0.84848600 1.0 O O47 1 0.67382400 0.97403300 0.63133400 1.0 O O48 1 0.37573000 0.31972600 0.02346300 1.0 O O49 1 0.12427000 0.31972600 0.52346300 1.0 O O50 1 0.69333800 0.45229700 0.57057100 1.0 O O51 1 0.69333800 0.95229700 0.92942900 1.0 O O52 1 0.67382400 0.47403300 0.86866600 1.0 O O53 1 0.87573000 0.68027400 0.47653700 1.0 O O54 1 0.87573000 0.18027400 0.02346300 1.0 O O55 1 0.62427000 0.68027400 0.97653700 1.0 O O56 1 0.82617600 0.47403300 0.36866600 1.0 O O57 1 0.73862200 0.72893300 0.15151400 1.0 O O58 1 0.23862200 0.27106700 0.34848600 1.0 O O59 1 0.17382400 0.52596700 0.63133400 1.0 O O60 1 0.32617600 0.52596700 0.13133400 1.0 O O61 1 0.42810000 0.17514700 0.69791400 1.0 O O62 1 0.32617600 0.02596700 0.36866600 1.0 O O63 1 0.42810000 0.67514700 0.80208600 1.0