# generated using pymatgen data_Zr3MnIr2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53820452 _cell_length_b 8.53820456 _cell_length_c 8.53820419 _cell_angle_alpha 60.00000143 _cell_angle_beta 60.00000129 _cell_angle_gamma 59.99999657 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3MnIr2N _chemical_formula_sum 'Zr12 Mn4 Ir8 N4' _cell_volume 440.13372302 _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 Zr Zr0 1 0.80813112 0.80813112 0.19186888 1.0 Zr Zr1 1 0.19186888 0.19186888 0.80813112 1.0 Zr Zr2 1 0.80813112 0.19186888 0.80813112 1.0 Zr Zr3 1 0.19186888 0.80813112 0.19186888 1.0 Zr Zr4 1 0.19186888 0.80813112 0.80813112 1.0 Zr Zr5 1 0.80813112 0.19186888 0.19186888 1.0 Zr Zr6 1 0.44186888 0.44186888 0.05813112 1.0 Zr Zr7 1 0.05813112 0.05813112 0.44186888 1.0 Zr Zr8 1 0.44186888 0.05813112 0.44186888 1.0 Zr Zr9 1 0.05813112 0.44186888 0.05813112 1.0 Zr Zr10 1 0.05813112 0.44186888 0.44186888 1.0 Zr Zr11 1 0.44186888 0.05813112 0.05813112 1.0 Mn Mn12 1 0.12500000 0.62500000 0.62500000 1.0 Mn Mn13 1 0.62500000 0.12500000 0.62500000 1.0 Mn Mn14 1 0.62500000 0.62500000 0.12500000 1.0 Mn Mn15 1 0.62500000 0.62500000 0.62500000 1.0 Ir Ir16 1 0.75135864 0.41621479 0.41621479 1.0 Ir Ir17 1 0.41621479 0.75135864 0.41621479 1.0 Ir Ir18 1 0.41621479 0.41621479 0.75135864 1.0 Ir Ir19 1 0.41621479 0.41621479 0.41621479 1.0 Ir Ir20 1 0.49864136 0.83378521 0.83378521 1.0 Ir Ir21 1 0.83378521 0.49864136 0.83378521 1.0 Ir Ir22 1 0.83378521 0.83378521 0.49864136 1.0 Ir Ir23 1 0.83378521 0.83378521 0.83378521 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