# generated using pymatgen data_Zr6Ti16BeIr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90746796 _cell_length_b 8.90746704 _cell_length_c 8.90746759 _cell_angle_alpha 59.99999793 _cell_angle_beta 60.00000137 _cell_angle_gamma 60.00000172 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Ti16BeIr6 _chemical_formula_sum 'Zr6 Ti16 Be1 Ir6' _cell_volume 499.74418493 _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 0.68691729 0.68691729 0.31308271 1.0 Zr Zr1 1 0.31308271 0.68691729 0.31308271 1.0 Zr Zr2 1 0.68691729 0.31308271 0.31308271 1.0 Zr Zr3 1 0.31308271 0.31308271 0.68691729 1.0 Zr Zr4 1 0.68691729 0.31308271 0.68691729 1.0 Zr Zr5 1 0.31308271 0.68691729 0.68691729 1.0 Ti Ti6 1 0.88477867 0.88477867 0.34566499 1.0 Ti Ti7 1 0.88477867 0.34566499 0.88477867 1.0 Ti Ti8 1 0.34566499 0.88477867 0.88477867 1.0 Ti Ti9 1 0.88477867 0.88477867 0.88477867 1.0 Ti Ti10 1 0.11522133 0.11522133 0.65433501 1.0 Ti Ti11 1 0.11522133 0.65433501 0.11522133 1.0 Ti Ti12 1 0.65433501 0.11522133 0.11522133 1.0 Ti Ti13 1 0.11522133 0.11522133 0.11522133 1.0 Ti Ti14 1 0.66967462 0.66967462 0.99097314 1.0 Ti Ti15 1 0.66967462 0.99097314 0.66967462 1.0 Ti Ti16 1 0.99097314 0.66967462 0.66967462 1.0 Ti Ti17 1 0.66967462 0.66967462 0.66967462 1.0 Ti Ti18 1 0.33032538 0.33032538 0.00902686 1.0 Ti Ti19 1 0.33032538 0.00902686 0.33032538 1.0 Ti Ti20 1 0.00902686 0.33032538 0.33032538 1.0 Ti Ti21 1 0.33032538 0.33032538 0.33032538 1.0 Be Be22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir24 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir26 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.00000000 1.0