# generated using pymatgen data_Zr16NiIr7N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.81539172 _cell_length_b 8.81539312 _cell_length_c 8.81539264 _cell_angle_alpha 59.26080882 _cell_angle_beta 59.26080759 _cell_angle_gamma 59.26081676 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr16NiIr7N4 _chemical_formula_sum 'Zr16 Ni1 Ir7 N4' _cell_volume 476.25135666 _cell_formula_units_Z 1 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 0.09751422 0.63950264 0.63950264 1.0 Zr Zr1 1 0.63950264 0.09751422 0.63950264 1.0 Zr Zr2 1 0.63950264 0.63950264 0.09751422 1.0 Zr Zr3 1 0.61487051 0.61487051 0.61487051 1.0 Zr Zr4 1 0.81898555 0.81898555 0.18435484 1.0 Zr Zr5 1 0.18849672 0.18849672 0.81545082 1.0 Zr Zr6 1 0.81898555 0.18435484 0.81898555 1.0 Zr Zr7 1 0.18849672 0.81545082 0.18849672 1.0 Zr Zr8 1 0.18435484 0.81898555 0.81898555 1.0 Zr Zr9 1 0.81545082 0.18849672 0.18849672 1.0 Zr Zr10 1 0.43717269 0.43717269 0.06846239 1.0 Zr Zr11 1 0.07019252 0.07019252 0.43474521 1.0 Zr Zr12 1 0.43717269 0.06846239 0.43717269 1.0 Zr Zr13 1 0.07019252 0.43474521 0.07019252 1.0 Zr Zr14 1 0.06846239 0.43717269 0.43717269 1.0 Zr Zr15 1 0.43474521 0.07019252 0.07019252 1.0 Ni Ni16 1 0.85493268 0.85493268 0.85493268 1.0 Ir Ir17 1 0.76467587 0.40048563 0.40048563 1.0 Ir Ir18 1 0.40048563 0.76467587 0.40048563 1.0 Ir Ir19 1 0.40048563 0.40048563 0.76467587 1.0 Ir Ir20 1 0.41601439 0.41601439 0.41601439 1.0 Ir Ir21 1 0.47884075 0.82823927 0.82823927 1.0 Ir Ir22 1 0.82823927 0.47884075 0.82823927 1.0 Ir Ir23 1 0.82823927 0.82823927 0.47884075 1.0 N N24 1 0.62401246 0.12783063 0.12783063 1.0 N N25 1 0.12783063 0.62401246 0.12783063 1.0 N N26 1 0.12783063 0.12783063 0.62401246 1.0 N N27 1 0.12431655 0.12431655 0.12431655 1.0