# generated using pymatgen data_CuIr5O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49236398 _cell_length_b 4.49236386 _cell_length_c 9.46880939 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.82732234 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuIr5O12 _chemical_formula_sum 'Cu1 Ir5 O12' _cell_volume 191.09233284 _cell_formula_units_Z 1 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 Cu Cu0 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir1 1 0.00000000 0.00000000 0.33094278 1.0 Ir Ir2 1 0.00000000 0.00000000 0.66905722 1.0 Ir Ir3 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir4 1 0.50000000 0.50000000 0.83501606 1.0 Ir Ir5 1 0.50000000 0.50000000 0.16498394 1.0 O O6 1 0.30816315 0.30816315 0.33288478 1.0 O O7 1 0.30816315 0.30816315 0.66711522 1.0 O O8 1 0.69183685 0.69183685 0.33288478 1.0 O O9 1 0.69183685 0.69183685 0.66711522 1.0 O O10 1 0.19135919 0.80864081 0.50000000 1.0 O O11 1 0.19540599 0.80459401 0.83173947 1.0 O O12 1 0.19540599 0.80459401 0.16826053 1.0 O O13 1 0.30867245 0.30867245 0.00000000 1.0 O O14 1 0.69132755 0.69132755 0.00000000 1.0 O O15 1 0.80459401 0.19540599 0.16826053 1.0 O O16 1 0.80459401 0.19540599 0.83173947 1.0 O O17 1 0.80864081 0.19135919 0.50000000 1.0