# generated using pymatgen data_Ca2Co2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33786000 _cell_length_b 11.11998800 _cell_length_c 14.91850200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Co2O5 _chemical_formula_sum 'Ca16 Co16 O40' _cell_volume 885.51661536 _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 0.01245600 0.26052600 0.39255700 1.0 Ca Ca1 1 0.98754400 0.73947400 0.89255700 1.0 Ca Ca2 1 0.01245600 0.23947400 0.60744300 1.0 Ca Ca3 1 0.98754400 0.76052600 0.10744300 1.0 Ca Ca4 1 0.98754400 0.73947400 0.60744300 1.0 Ca Ca5 1 0.01245600 0.26052600 0.10744300 1.0 Ca Ca6 1 0.98754400 0.76052600 0.39255700 1.0 Ca Ca7 1 0.01245600 0.23947400 0.89255700 1.0 Ca Ca8 1 0.51090400 0.98983200 0.10753300 1.0 Ca Ca9 1 0.48909600 0.01016800 0.60753300 1.0 Ca Ca10 1 0.51090400 0.51016800 0.89246700 1.0 Ca Ca11 1 0.48909600 0.48983200 0.39246700 1.0 Ca Ca12 1 0.48909600 0.01016800 0.89246700 1.0 Ca Ca13 1 0.51090400 0.98983200 0.39246700 1.0 Ca Ca14 1 0.48909600 0.48983200 0.10753300 1.0 Ca Ca15 1 0.51090400 0.51016800 0.60753300 1.0 Co Co16 1 0.54903900 0.21893700 0.25000000 1.0 Co Co17 1 0.45096100 0.78106300 0.75000000 1.0 Co Co18 1 0.54903900 0.28106300 0.75000000 1.0 Co Co19 1 0.45096100 0.71893700 0.25000000 1.0 Co Co20 1 0.04581900 0.03149500 0.25000000 1.0 Co Co21 1 0.95418100 0.96850500 0.75000000 1.0 Co Co22 1 0.04581900 0.46850500 0.75000000 1.0 Co Co23 1 0.95418100 0.53149500 0.25000000 1.0 Co Co24 1 0.00000000 0.00000000 0.50000000 1.0 Co Co25 1 0.00000000 0.00000000 0.00000000 1.0 Co Co26 1 0.00000000 0.50000000 0.50000000 1.0 Co Co27 1 0.00000000 0.50000000 0.00000000 1.0 Co Co28 1 0.50384700 0.25000000 0.50000000 1.0 Co Co29 1 0.49615300 0.75000000 0.00000000 1.0 Co Co30 1 0.49615300 0.75000000 0.50000000 1.0 Co Co31 1 0.50384700 0.25000000 0.00000000 1.0 O O32 1 0.91382300 0.19353700 0.25000000 1.0 O O33 1 0.08617700 0.80646300 0.75000000 1.0 O O34 1 0.91382300 0.30646300 0.75000000 1.0 O O35 1 0.08617700 0.69353700 0.25000000 1.0 O O36 1 0.40965200 0.05737300 0.25000000 1.0 O O37 1 0.59034800 0.94262700 0.75000000 1.0 O O38 1 0.40965200 0.44262700 0.75000000 1.0 O O39 1 0.59034800 0.55737300 0.25000000 1.0 O O40 1 0.97720200 0.96869400 0.14068800 1.0 O O41 1 0.02279800 0.03130600 0.64068800 1.0 O O42 1 0.97720200 0.53130600 0.85931200 1.0 O O43 1 0.02279800 0.46869400 0.35931200 1.0 O O44 1 0.02279800 0.03130600 0.85931200 1.0 O O45 1 0.97720200 0.96869400 0.35931200 1.0 O O46 1 0.02279800 0.46869400 0.14068800 1.0 O O47 1 0.97720200 0.53130600 0.64068800 1.0 O O48 1 0.48855300 0.28062900 0.35981000 1.0 O O49 1 0.51144700 0.71937100 0.85981000 1.0 O O50 1 0.48855300 0.21937100 0.64019000 1.0 O O51 1 0.51144700 0.78062900 0.14019000 1.0 O O52 1 0.51144700 0.71937100 0.64019000 1.0 O O53 1 0.48855300 0.28062900 0.14019000 1.0 O O54 1 0.51144700 0.78062900 0.35981000 1.0 O O55 1 0.48855300 0.21937100 0.85981000 1.0 O O56 1 0.24463400 0.87378100 0.51041200 1.0 O O57 1 0.75536600 0.12621900 0.01041200 1.0 O O58 1 0.24463400 0.62621900 0.48958800 1.0 O O59 1 0.75536600 0.37378100 0.98958800 1.0 O O60 1 0.75536600 0.12621900 0.48958800 1.0 O O61 1 0.24463400 0.87378100 0.98958800 1.0 O O62 1 0.75536600 0.37378100 0.51041200 1.0 O O63 1 0.24463400 0.62621900 0.01041200 1.0 O O64 1 0.25500500 0.12373300 0.48533300 1.0 O O65 1 0.74499500 0.87626700 0.98533300 1.0 O O66 1 0.25500500 0.37626700 0.51466700 1.0 O O67 1 0.74499500 0.62373300 0.01466700 1.0 O O68 1 0.74499500 0.87626700 0.51466700 1.0 O O69 1 0.25500500 0.12373300 0.01466700 1.0 O O70 1 0.74499500 0.62373300 0.48533300 1.0 O O71 1 0.25500500 0.37626700 0.98533300 1.0