# generated using pymatgen data_ZnNi5N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05357800 _cell_length_b 5.55558500 _cell_length_c 4.35858600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNi5N4 _chemical_formula_sum 'Zn2 Ni10 N8' _cell_volume 219.22781924 _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 Zn Zn0 1 0.75000000 0.25000000 0.73515200 1.0 Zn Zn1 1 0.25000000 0.75000000 0.26484800 1.0 Ni Ni2 1 0.60064600 0.48172700 0.33077800 1.0 Ni Ni3 1 0.89935400 0.48172700 0.33077800 1.0 Ni Ni4 1 0.60064600 0.01827300 0.33077800 1.0 Ni Ni5 1 0.89935400 0.01827300 0.33077800 1.0 Ni Ni6 1 0.39935400 0.51827300 0.66922200 1.0 Ni Ni7 1 0.10064600 0.51827300 0.66922200 1.0 Ni Ni8 1 0.39935400 0.98172700 0.66922200 1.0 Ni Ni9 1 0.10064600 0.98172700 0.66922200 1.0 Ni Ni10 1 0.75000000 0.75000000 0.75498900 1.0 Ni Ni11 1 0.25000000 0.25000000 0.24501100 1.0 N N12 1 0.75000000 0.99526400 0.05056800 1.0 N N13 1 0.75000000 0.50473600 0.05056800 1.0 N N14 1 0.25000000 0.00473600 0.94943200 1.0 N N15 1 0.25000000 0.49526400 0.94943200 1.0 N N16 1 0.54969400 0.75000000 0.59000000 1.0 N N17 1 0.95030600 0.75000000 0.59000000 1.0 N N18 1 0.45030600 0.25000000 0.41000000 1.0 N N19 1 0.04969400 0.25000000 0.41000000 1.0