# generated using pymatgen data_Zr3NiIr2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43311266 _cell_length_b 8.43311343 _cell_length_c 8.43311182 _cell_angle_alpha 60.00000631 _cell_angle_beta 60.00000328 _cell_angle_gamma 60.00000300 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3NiIr2N _chemical_formula_sum 'Zr12 Ni4 Ir8 N4' _cell_volume 424.08093293 _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 0.80467742 0.80467742 0.19532258 1.0 Zr Zr1 1 0.19532258 0.19532258 0.80467742 1.0 Zr Zr2 1 0.80467742 0.19532258 0.80467742 1.0 Zr Zr3 1 0.19532258 0.80467742 0.19532258 1.0 Zr Zr4 1 0.19532258 0.80467742 0.80467742 1.0 Zr Zr5 1 0.80467742 0.19532258 0.19532258 1.0 Zr Zr6 1 0.44532258 0.44532258 0.05467742 1.0 Zr Zr7 1 0.05467742 0.05467742 0.44532258 1.0 Zr Zr8 1 0.44532258 0.05467742 0.44532258 1.0 Zr Zr9 1 0.05467742 0.44532258 0.05467742 1.0 Zr Zr10 1 0.05467742 0.44532258 0.44532258 1.0 Zr Zr11 1 0.44532258 0.05467742 0.05467742 1.0 Ni Ni12 1 0.12500000 0.62500000 0.62500000 1.0 Ni Ni13 1 0.62500000 0.12500000 0.62500000 1.0 Ni Ni14 1 0.62500000 0.62500000 0.12500000 1.0 Ni Ni15 1 0.62500000 0.62500000 0.62500000 1.0 Ir Ir16 1 0.74966164 0.41678012 0.41678012 1.0 Ir Ir17 1 0.41678012 0.74966164 0.41678012 1.0 Ir Ir18 1 0.41678012 0.41678012 0.74966164 1.0 Ir Ir19 1 0.41678012 0.41678012 0.41678012 1.0 Ir Ir20 1 0.50033836 0.83321988 0.83321988 1.0 Ir Ir21 1 0.83321988 0.50033836 0.83321988 1.0 Ir Ir22 1 0.83321988 0.83321988 0.50033836 1.0 Ir Ir23 1 0.83321988 0.83321988 0.83321988 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