# generated using pymatgen data_Co2RuN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79692887 _cell_length_b 10.46707951 _cell_length_c 9.23467459 _cell_angle_alpha 89.99999656 _cell_angle_beta 91.15838437 _cell_angle_gamma 154.53027280 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2RuN3 _chemical_formula_sum 'Co8 Ru4 N12' _cell_volume 240.69529795 _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 0.50966600 0.05779700 0.87043200 1.0 Co Co1 1 0.49033400 0.54813100 0.62956800 1.0 Co Co2 1 0.49033400 0.94220300 0.12956800 1.0 Co Co3 1 0.50966600 0.45186900 0.37043200 1.0 Co Co4 1 0.55378000 0.95827200 0.60582200 1.0 Co Co5 1 0.44622000 0.40449100 0.89417800 1.0 Co Co6 1 0.44622000 0.04172800 0.39417800 1.0 Co Co7 1 0.55378000 0.59550900 0.10582200 1.0 Ru Ru8 1 0.55065800 0.28934700 0.67035300 1.0 Ru Ru9 1 0.44934200 0.73868800 0.82964700 1.0 Ru Ru10 1 0.44934200 0.71065300 0.32964700 1.0 Ru Ru11 1 0.55065800 0.26131200 0.17035300 1.0 N N12 1 0.00000000 0.67904600 0.75000000 1.0 N N13 1 0.00000000 0.32095400 0.25000000 1.0 N N14 1 0.79329100 0.25826700 0.57220900 1.0 N N15 1 0.20670900 0.46497600 0.92779100 1.0 N N16 1 0.20670900 0.74173300 0.42779100 1.0 N N17 1 0.79329100 0.53502400 0.07220900 1.0 N N18 1 0.23752300 0.97413200 0.04645300 1.0 N N19 1 0.76247700 0.73660900 0.45354700 1.0 N N20 1 0.76247700 0.02586800 0.95354700 1.0 N N21 1 0.23752300 0.26339100 0.54645300 1.0 N N22 1 0.00000000 0.91305900 0.75000000 1.0 N N23 1 0.00000000 0.08694100 0.25000000 1.0