# generated using pymatgen data_Hf6Al5ZnIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23695708 _cell_length_b 6.90893656 _cell_length_c 12.70673476 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99993794 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Al5ZnIr12 _chemical_formula_sum 'Hf6 Al5 Zn1 Ir12' _cell_volume 371.96256497 _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 Hf Hf0 1 0.99999733 0.50000000 0.99546338 1.0 Hf Hf1 1 0.49996229 0.00000000 0.16740930 1.0 Hf Hf2 1 0.99996207 0.50000000 0.33332445 1.0 Hf Hf3 1 0.49999863 0.00000000 0.49924376 1.0 Hf Hf4 1 0.00003630 0.50000000 0.67121653 1.0 Hf Hf5 1 0.50003847 0.00000000 0.83334058 1.0 Al Al6 1 0.99999756 0.00000000 0.00094458 1.0 Al Al7 1 0.49995200 0.50000000 0.16449790 1.0 Al Al8 1 0.99995421 0.00000000 0.33338704 1.0 Al Al9 1 0.49999934 0.50000000 0.50215288 1.0 Al Al10 1 0.00003744 0.00000000 0.66572742 1.0 Zn Zn11 1 0.50004575 0.50000000 0.83333044 1.0 Ir Ir12 1 0.49999614 0.24705205 0.00171039 1.0 Ir Ir13 1 0.49999614 0.75294695 0.00171039 1.0 Ir Ir14 1 0.99996815 0.25200616 0.16673306 1.0 Ir Ir15 1 0.99996815 0.74799384 0.16673306 1.0 Ir Ir16 1 0.49996883 0.25182688 0.33331467 1.0 Ir Ir17 1 0.49996883 0.74817212 0.33331467 1.0 Ir Ir18 1 0.00000005 0.25202497 0.49991908 1.0 Ir Ir19 1 0.00000005 0.74797503 0.49991908 1.0 Ir Ir20 1 0.50003477 0.24702853 0.66496158 1.0 Ir Ir21 1 0.50003477 0.75297047 0.66496158 1.0 Ir Ir22 1 0.00004087 0.24199745 0.83334160 1.0 Ir Ir23 1 0.00004087 0.75800255 0.83334160 1.0