# generated using pymatgen data_ZnFe5N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.32535200 _cell_length_b 5.47922500 _cell_length_c 4.47362600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnFe5N4 _chemical_formula_sum 'Zn2 Fe10 N8' _cell_volume 204.07105670 _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 0.71073600 1.0 Zn Zn1 1 0.25000000 0.75000000 0.28926400 1.0 Fe Fe2 1 0.55515000 0.49254100 0.25542200 1.0 Fe Fe3 1 0.94485000 0.49254100 0.25542200 1.0 Fe Fe4 1 0.55515000 0.00745900 0.25542200 1.0 Fe Fe5 1 0.94485000 0.00745900 0.25542200 1.0 Fe Fe6 1 0.44485000 0.50745900 0.74457800 1.0 Fe Fe7 1 0.05515000 0.50745900 0.74457800 1.0 Fe Fe8 1 0.44485000 0.99254100 0.74457800 1.0 Fe Fe9 1 0.05515000 0.99254100 0.74457800 1.0 Fe Fe10 1 0.75000000 0.75000000 0.82352100 1.0 Fe Fe11 1 0.25000000 0.25000000 0.17647900 1.0 N N12 1 0.75000000 0.00369400 0.08705800 1.0 N N13 1 0.75000000 0.49630600 0.08705800 1.0 N N14 1 0.25000000 0.99630600 0.91294200 1.0 N N15 1 0.25000000 0.50369400 0.91294200 1.0 N N16 1 0.57217100 0.75000000 0.54401300 1.0 N N17 1 0.92782900 0.75000000 0.54401300 1.0 N N18 1 0.42782900 0.25000000 0.45598700 1.0 N N19 1 0.07217100 0.25000000 0.45598700 1.0