# generated using pymatgen data_Mn2NiN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.85533500 _cell_length_b 2.85094100 _cell_length_c 11.64487600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2NiN2 _chemical_formula_sum 'Mn4 Ni2 N4' _cell_volume 94.79385101 _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 0.25825400 0.25000000 0.90976400 1.0 Mn Mn1 1 0.25825400 0.25000000 0.59023600 1.0 Mn Mn2 1 0.74174600 0.75000000 0.09023600 1.0 Mn Mn3 1 0.74174600 0.75000000 0.40976400 1.0 Ni Ni4 1 0.22738500 0.25000000 0.25000000 1.0 Ni Ni5 1 0.77261500 0.75000000 0.75000000 1.0 N N6 1 0.24238600 0.25000000 0.41038300 1.0 N N7 1 0.24238600 0.25000000 0.08961700 1.0 N N8 1 0.75761400 0.75000000 0.58961700 1.0 N N9 1 0.75761400 0.75000000 0.91038300 1.0