# generated using pymatgen data_Zr2TiIr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14599304 _cell_length_b 5.58319163 _cell_length_c 11.03510471 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TiIr5 _chemical_formula_sum 'Zr4 Ti2 Ir10' _cell_volume 255.43920962 _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 Zr Zr0 1 0.50000000 0.31941189 0.14204863 1.0 Zr Zr1 1 0.50000000 0.68058811 0.85795137 1.0 Zr Zr2 1 0.50000000 0.81941189 0.35795137 1.0 Zr Zr3 1 0.50000000 0.18058811 0.64204863 1.0 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti5 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir6 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir7 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir8 1 0.00000000 0.06230886 0.24392919 1.0 Ir Ir9 1 0.00000000 0.93769114 0.75607081 1.0 Ir Ir10 1 0.00000000 0.56230886 0.25607081 1.0 Ir Ir11 1 0.00000000 0.43769114 0.74392919 1.0 Ir Ir12 1 0.50000000 0.30794449 0.39347577 1.0 Ir Ir13 1 0.50000000 0.69205551 0.60652423 1.0 Ir Ir14 1 0.50000000 0.80794449 0.10652423 1.0 Ir Ir15 1 0.50000000 0.19205551 0.89347577 1.0