# generated using pymatgen data_MnNi5N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51230200 _cell_length_b 5.81423400 _cell_length_c 4.20776600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNi5N4 _chemical_formula_sum 'Mn2 Ni10 N8' _cell_volume 208.25292484 _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 0.25000000 0.73801900 1.0 Mn Mn1 1 0.25000000 0.75000000 0.26198100 1.0 Ni Ni2 1 0.59228000 0.53657800 0.29713500 1.0 Ni Ni3 1 0.90772000 0.53657800 0.29713500 1.0 Ni Ni4 1 0.59228000 0.96342200 0.29713500 1.0 Ni Ni5 1 0.90772000 0.96342200 0.29713500 1.0 Ni Ni6 1 0.40772000 0.46342200 0.70286500 1.0 Ni Ni7 1 0.09228000 0.46342200 0.70286500 1.0 Ni Ni8 1 0.40772000 0.03657800 0.70286500 1.0 Ni Ni9 1 0.09228000 0.03657800 0.70286500 1.0 Ni Ni10 1 0.75000000 0.75000000 0.81880900 1.0 Ni Ni11 1 0.25000000 0.25000000 0.18119100 1.0 N N12 1 0.75000000 0.02584700 0.01729100 1.0 N N13 1 0.75000000 0.47415300 0.01729100 1.0 N N14 1 0.25000000 0.97415300 0.98270900 1.0 N N15 1 0.25000000 0.52584700 0.98270900 1.0 N N16 1 0.43980800 0.75000000 0.47523400 1.0 N N17 1 0.06019200 0.75000000 0.47523400 1.0 N N18 1 0.56019200 0.25000000 0.52476600 1.0 N N19 1 0.93980800 0.25000000 0.52476600 1.0