# generated using pymatgen data_Hf6Zn6Ir11Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43705790 _cell_length_b 6.23545381 _cell_length_c 13.31024227 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99945654 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Zn6Ir11Ru _chemical_formula_sum 'Hf6 Zn6 Ir11 Ru1' _cell_volume 368.25539881 _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 0.00000000 0.49624071 0.00000000 1.0 Hf Hf1 1 0.49984375 0.00196127 0.16458420 1.0 Hf Hf2 1 0.99983708 0.49993609 0.33289372 1.0 Hf Hf3 1 0.50000000 0.00022349 0.50000000 1.0 Hf Hf4 1 0.00016292 0.49993609 0.66710628 1.0 Hf Hf5 1 0.50015625 0.00196127 0.83541580 1.0 Zn Zn6 1 0.00000000 0.00221509 0.00000000 1.0 Zn Zn7 1 0.49988827 0.49789411 0.16520533 1.0 Zn Zn8 1 0.99987337 0.00086960 0.33299922 1.0 Zn Zn9 1 0.50000000 0.49998152 0.50000000 1.0 Zn Zn10 1 0.00012763 0.00086960 0.66699978 1.0 Zn Zn11 1 0.50011273 0.49789411 0.83479467 1.0 Ir Ir12 1 0.50000000 0.74890164 0.00000000 1.0 Ir Ir13 1 0.99984030 0.24991856 0.16693959 1.0 Ir Ir14 1 0.99983327 0.74988614 0.16696004 1.0 Ir Ir15 1 0.49982953 0.25018535 0.33359753 1.0 Ir Ir16 1 0.49983597 0.75056192 0.33298250 1.0 Ir Ir17 1 0.00000000 0.25007238 0.50000000 1.0 Ir Ir18 1 0.00000000 0.75030151 0.50000000 1.0 Ir Ir19 1 0.50017047 0.25018535 0.66640247 1.0 Ir Ir20 1 0.50016403 0.75056192 0.66701750 1.0 Ir Ir21 1 0.00015970 0.24991856 0.83306041 1.0 Ir Ir22 1 0.00016673 0.74988614 0.83303996 1.0 Ru Ru23 1 0.50000000 0.24963559 0.00000000 1.0