# generated using pymatgen data_HfZr(SiIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95227330 _cell_length_b 6.51631091 _cell_length_c 7.39065618 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr(SiIr)2 _chemical_formula_sum 'Hf2 Zr2 Si4 Ir4' _cell_volume 190.34074522 _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 Hf Hf0 1 0.25000000 0.01888212 0.31794259 1.0 Hf Hf1 1 0.25000000 0.51888212 0.18205741 1.0 Zr Zr2 1 0.75000000 0.98182639 0.68110130 1.0 Zr Zr3 1 0.75000000 0.48182639 0.81889870 1.0 Si Si4 1 0.25000000 0.27799781 0.61823248 1.0 Si Si5 1 0.25000000 0.77799781 0.88176752 1.0 Si Si6 1 0.75000000 0.72166899 0.38054762 1.0 Si Si7 1 0.75000000 0.22166899 0.11945238 1.0 Ir Ir8 1 0.25000000 0.15305966 0.93747441 1.0 Ir Ir9 1 0.25000000 0.65305966 0.56252559 1.0 Ir Ir10 1 0.75000000 0.84656504 0.06849005 1.0 Ir Ir11 1 0.75000000 0.34656504 0.43150995 1.0