# generated using pymatgen data_MgZr3Ir2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59244315 _cell_length_b 8.59244371 _cell_length_c 8.59244266 _cell_angle_alpha 60.00000028 _cell_angle_beta 59.99999811 _cell_angle_gamma 60.00000091 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZr3Ir2N _chemical_formula_sum 'Mg4 Zr12 Ir8 N4' _cell_volume 448.57493778 _cell_formula_units_Z 4 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 Mg Mg0 1 0.12500000 0.62500000 0.62500000 1.0 Mg Mg1 1 0.62500000 0.12500000 0.62500000 1.0 Mg Mg2 1 0.62500000 0.62500000 0.12500000 1.0 Mg Mg3 1 0.62500000 0.62500000 0.62500000 1.0 Zr Zr4 1 0.80994923 0.80994923 0.19005077 1.0 Zr Zr5 1 0.19005077 0.19005077 0.80994923 1.0 Zr Zr6 1 0.80994923 0.19005077 0.80994923 1.0 Zr Zr7 1 0.19005077 0.80994923 0.19005077 1.0 Zr Zr8 1 0.19005077 0.80994923 0.80994923 1.0 Zr Zr9 1 0.80994923 0.19005077 0.19005077 1.0 Zr Zr10 1 0.44005077 0.44005077 0.05994923 1.0 Zr Zr11 1 0.05994923 0.05994923 0.44005077 1.0 Zr Zr12 1 0.44005077 0.05994923 0.44005077 1.0 Zr Zr13 1 0.05994923 0.44005077 0.05994923 1.0 Zr Zr14 1 0.05994923 0.44005077 0.44005077 1.0 Zr Zr15 1 0.44005077 0.05994923 0.05994923 1.0 Ir Ir16 1 0.75743713 0.41418796 0.41418796 1.0 Ir Ir17 1 0.41418796 0.75743713 0.41418796 1.0 Ir Ir18 1 0.41418796 0.41418796 0.75743713 1.0 Ir Ir19 1 0.41418796 0.41418796 0.41418796 1.0 Ir Ir20 1 0.49256287 0.83581204 0.83581204 1.0 Ir Ir21 1 0.83581204 0.49256287 0.83581204 1.0 Ir Ir22 1 0.83581204 0.83581204 0.49256287 1.0 Ir Ir23 1 0.83581204 0.83581204 0.83581204 1.0 N N24 1 0.62500000 0.12500000 0.12500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.62500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0