# generated using pymatgen data_CaGa2Cu3(RuO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47962400 _cell_length_b 7.47962400 _cell_length_c 7.47962400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaGa2Cu3(RuO6)2 _chemical_formula_sum 'Ca2 Ga4 Cu6 Ru4 O24' _cell_volume 418.44588312 _cell_formula_units_Z 2 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 0.00000000 0.00000000 0.00000000 1.0 Ca Ca1 1 0.50000000 0.50000000 0.50000000 1.0 Ga Ga2 1 0.25000000 0.75000000 0.75000000 1.0 Ga Ga3 1 0.75000000 0.75000000 0.25000000 1.0 Ga Ga4 1 0.75000000 0.25000000 0.75000000 1.0 Ga Ga5 1 0.25000000 0.25000000 0.25000000 1.0 Cu Cu6 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu7 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu8 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu9 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu10 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu11 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru12 1 0.25000000 0.75000000 0.25000000 1.0 Ru Ru13 1 0.75000000 0.75000000 0.75000000 1.0 Ru Ru14 1 0.75000000 0.25000000 0.25000000 1.0 Ru Ru15 1 0.25000000 0.25000000 0.75000000 1.0 O O16 1 0.30694800 0.99910400 0.17374200 1.0 O O17 1 0.69305200 0.00089600 0.17374200 1.0 O O18 1 0.32625800 0.80694800 0.49910400 1.0 O O19 1 0.67374200 0.80694800 0.50089600 1.0 O O20 1 0.00089600 0.82625800 0.30694800 1.0 O O21 1 0.69305200 0.99910400 0.82625800 1.0 O O22 1 0.50089600 0.67374200 0.80694800 1.0 O O23 1 0.99910400 0.82625800 0.69305200 1.0 O O24 1 0.80694800 0.50089600 0.67374200 1.0 O O25 1 0.49910400 0.67374200 0.19305200 1.0 O O26 1 0.82625800 0.69305200 0.99910400 1.0 O O27 1 0.19305200 0.49910400 0.67374200 1.0 O O28 1 0.17374200 0.69305200 0.00089600 1.0 O O29 1 0.82625800 0.30694800 0.00089600 1.0 O O30 1 0.80694800 0.49910400 0.32625800 1.0 O O31 1 0.17374200 0.30694800 0.99910400 1.0 O O32 1 0.49910400 0.32625800 0.80694800 1.0 O O33 1 0.19305200 0.50089600 0.32625800 1.0 O O34 1 0.99910400 0.17374200 0.30694800 1.0 O O35 1 0.50089600 0.32625800 0.19305200 1.0 O O36 1 0.00089600 0.17374200 0.69305200 1.0 O O37 1 0.32625800 0.19305200 0.50089600 1.0 O O38 1 0.67374200 0.19305200 0.49910400 1.0 O O39 1 0.30694800 0.00089600 0.82625800 1.0