# generated using pymatgen data_Nb12Co12CN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93236785 _cell_length_b 7.93236763 _cell_length_c 7.93236820 _cell_angle_alpha 60.00000609 _cell_angle_beta 60.00000700 _cell_angle_gamma 60.00000375 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb12Co12CN _chemical_formula_sum 'Nb12 Co12 C1 N1' _cell_volume 352.93408393 _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 Nb Nb0 1 0.05393956 0.05393956 0.44606044 1.0 Nb Nb1 1 0.44606044 0.05393956 0.44606044 1.0 Nb Nb2 1 0.05393956 0.44606044 0.44606044 1.0 Nb Nb3 1 0.44606044 0.44606044 0.05393956 1.0 Nb Nb4 1 0.05393956 0.44606044 0.05393956 1.0 Nb Nb5 1 0.44606044 0.05393956 0.05393956 1.0 Nb Nb6 1 0.19678640 0.19678640 0.80321360 1.0 Nb Nb7 1 0.80321360 0.19678640 0.80321360 1.0 Nb Nb8 1 0.19678640 0.80321360 0.80321360 1.0 Nb Nb9 1 0.80321360 0.80321360 0.19678640 1.0 Nb Nb10 1 0.19678640 0.80321360 0.19678640 1.0 Nb Nb11 1 0.80321360 0.19678640 0.19678640 1.0 Co Co12 1 0.42331318 0.42331318 0.73006146 1.0 Co Co13 1 0.42331318 0.73006146 0.42331318 1.0 Co Co14 1 0.73006146 0.42331318 0.42331318 1.0 Co Co15 1 0.42331318 0.42331318 0.42331318 1.0 Co Co16 1 0.82672819 0.82672819 0.51981342 1.0 Co Co17 1 0.82672819 0.51981342 0.82672819 1.0 Co Co18 1 0.51981342 0.82672819 0.82672819 1.0 Co Co19 1 0.82672819 0.82672819 0.82672819 1.0 Co Co20 1 0.62505590 0.62505590 0.12483331 1.0 Co Co21 1 0.62505590 0.12483331 0.62505590 1.0 Co Co22 1 0.12483331 0.62505590 0.62505590 1.0 Co Co23 1 0.62505590 0.62505590 0.62505590 1.0 C C24 1 0.00000000 0.00000000 0.00000000 1.0 N N25 1 0.25000000 0.25000000 0.25000000 1.0