# generated using pymatgen data_Mn2NiN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17872597 _cell_length_b 3.18185006 _cell_length_c 5.37660505 _cell_angle_alpha 90.00000450 _cell_angle_beta 90.06188402 _cell_angle_gamma 120.03252927 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2NiN2 _chemical_formula_sum 'Mn2 Ni1 N2' _cell_volume 47.07916820 _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 Mn Mn0 1 0.66696200 0.33348000 0.16341400 1.0 Mn Mn1 1 0.33303800 0.66652000 0.83658600 1.0 Ni Ni2 1 0.00000000 0.00000000 0.50000000 1.0 N N3 1 0.66592100 0.33296000 0.78521000 1.0 N N4 1 0.33407900 0.66704000 0.21479000 1.0