# generated using pymatgen data_CoCuBiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62020275 _cell_length_b 7.49847604 _cell_length_c 8.44210558 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoCuBiO5 _chemical_formula_sum 'Co4 Cu4 Bi4 O20' _cell_volume 355.77528114 _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 0.26097886 0.50000000 0.00000000 1.0 Co Co1 1 0.73902114 0.00000000 0.50000000 1.0 Co Co2 1 0.73902114 0.50000000 0.00000000 1.0 Co Co3 1 0.26097886 0.00000000 0.50000000 1.0 Cu Cu4 1 0.50000000 0.92477452 0.15502376 1.0 Cu Cu5 1 0.50000000 0.07522548 0.84497624 1.0 Cu Cu6 1 0.50000000 0.42477452 0.34497624 1.0 Cu Cu7 1 0.50000000 0.57522548 0.65502376 1.0 Bi Bi8 1 0.00000000 0.65518973 0.33079691 1.0 Bi Bi9 1 0.00000000 0.34481027 0.66920309 1.0 Bi Bi10 1 0.00000000 0.15518973 0.16920309 1.0 Bi Bi11 1 0.00000000 0.84481027 0.83079691 1.0 O O12 1 0.00000000 0.65433582 0.05522424 1.0 O O13 1 0.00000000 0.34566418 0.94477576 1.0 O O14 1 0.00000000 0.15433582 0.44477576 1.0 O O15 1 0.00000000 0.84566418 0.55522424 1.0 O O16 1 0.28262675 0.50000000 0.50000000 1.0 O O17 1 0.71737325 0.00000000 0.00000000 1.0 O O18 1 0.71737325 0.50000000 0.50000000 1.0 O O19 1 0.28262675 0.00000000 0.00000000 1.0 O O20 1 0.50000000 0.64110991 0.06508171 1.0 O O21 1 0.50000000 0.35889009 0.93491829 1.0 O O22 1 0.50000000 0.14110991 0.43491829 1.0 O O23 1 0.50000000 0.85889009 0.56508171 1.0 O O24 1 0.24922034 0.89701319 0.29648342 1.0 O O25 1 0.24922034 0.10298681 0.70351658 1.0 O O26 1 0.75077966 0.39701319 0.20351658 1.0 O O27 1 0.75077966 0.60298681 0.79648342 1.0 O O28 1 0.75077966 0.10298681 0.70351658 1.0 O O29 1 0.75077966 0.89701319 0.29648342 1.0 O O30 1 0.24922034 0.60298681 0.79648342 1.0 O O31 1 0.24922034 0.39701319 0.20351658 1.0