# generated using pymatgen data_Mn2CuN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85241400 _cell_length_b 2.85054600 _cell_length_c 12.15026600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2CuN2 _chemical_formula_sum 'Mn4 Cu2 N4' _cell_volume 98.79305124 _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 Mn Mn0 1 0.75000000 0.74214600 0.08628500 1.0 Mn Mn1 1 0.75000000 0.74214600 0.41371500 1.0 Mn Mn2 1 0.25000000 0.25785400 0.91371500 1.0 Mn Mn3 1 0.25000000 0.25785400 0.58628500 1.0 Cu Cu4 1 0.75000000 0.78163700 0.75000000 1.0 Cu Cu5 1 0.25000000 0.21836300 0.25000000 1.0 N N6 1 0.75000000 0.75833100 0.58875800 1.0 N N7 1 0.75000000 0.75833100 0.91124200 1.0 N N8 1 0.25000000 0.24166900 0.41124200 1.0 N N9 1 0.25000000 0.24166900 0.08875800 1.0