# generated using pymatgen data_Co(IrO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43795777 _cell_length_b 10.20250500 _cell_length_c 8.87233852 _cell_angle_alpha 64.22780720 _cell_angle_beta 90.00078627 _cell_angle_gamma 90.00043888 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co(IrO3)2 _chemical_formula_sum 'Co4 Ir8 O24' _cell_volume 361.76472729 _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 0.00000000 0.00000000 0.50000000 1.0 Co Co1 1 0.50000000 0.50000000 0.00000000 1.0 Co Co2 1 0.00000000 0.00000000 0.00000000 1.0 Co Co3 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir4 1 0.99998910 0.66727414 0.66636702 1.0 Ir Ir5 1 0.00002917 0.66733473 0.16633082 1.0 Ir Ir6 1 0.00001090 0.33272586 0.33363298 1.0 Ir Ir7 1 0.99997083 0.33266527 0.83366918 1.0 Ir Ir8 1 0.49996999 0.16735128 0.16633844 1.0 Ir Ir9 1 0.50000290 0.16731371 0.66631988 1.0 Ir Ir10 1 0.50003001 0.83264872 0.83366156 1.0 Ir Ir11 1 0.49999710 0.83268629 0.33368012 1.0 O O12 1 0.30163750 0.00001768 0.34938837 1.0 O O13 1 0.30159002 0.99998418 0.84932874 1.0 O O14 1 0.69836250 0.99998232 0.65061163 1.0 O O15 1 0.69840998 0.00001582 0.15067126 1.0 O O16 1 0.19836977 0.49997176 0.84936109 1.0 O O17 1 0.19838939 0.50002928 0.34933026 1.0 O O18 1 0.80163023 0.50002824 0.15063891 1.0 O O19 1 0.80161061 0.49997072 0.65066974 1.0 O O20 1 0.30888712 0.33773764 0.17682636 1.0 O O21 1 0.30891896 0.33767412 0.67688150 1.0 O O22 1 0.19105184 0.83767412 0.67688813 1.0 O O23 1 0.19112164 0.83774985 0.17682844 1.0 O O24 1 0.30900040 0.66229070 0.01458773 1.0 O O25 1 0.30886078 0.66228724 0.51456095 1.0 O O26 1 0.19101496 0.16226920 0.01461089 1.0 O O27 1 0.19110690 0.16229932 0.51453262 1.0 O O28 1 0.80898504 0.83773080 0.98538911 1.0 O O29 1 0.80889310 0.83770068 0.48546738 1.0 O O30 1 0.69099960 0.33770930 0.98541227 1.0 O O31 1 0.69113922 0.33771276 0.48543905 1.0 O O32 1 0.69111288 0.66226236 0.82317364 1.0 O O33 1 0.69108104 0.66232588 0.32311850 1.0 O O34 1 0.80894816 0.16232588 0.32311187 1.0 O O35 1 0.80887836 0.16225015 0.82317156 1.0