# generated using pymatgen data_Co3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11061216 _cell_length_b 5.11061216 _cell_length_c 4.07789600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000201 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3Ru _chemical_formula_sum 'Co6 Ru2' _cell_volume 92.23858153 _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 Co Co0 1 0.16351400 0.32702800 0.25000000 1.0 Co Co1 1 0.67297200 0.83648600 0.25000000 1.0 Co Co2 1 0.16351400 0.83648600 0.25000000 1.0 Co Co3 1 0.83648600 0.67297200 0.75000000 1.0 Co Co4 1 0.32702800 0.16351400 0.75000000 1.0 Co Co5 1 0.83648600 0.16351400 0.75000000 1.0 Ru Ru6 1 0.33333300 0.66666700 0.75000000 1.0 Ru Ru7 1 0.66666700 0.33333300 0.25000000 1.0