# generated using pymatgen data_Hf6ZnGa5Ir12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19746339 _cell_length_b 7.04175526 _cell_length_c 12.60584017 _cell_angle_alpha 90.00001522 _cell_angle_beta 90.00015206 _cell_angle_gamma 90.00012597 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6ZnGa5Ir12 _chemical_formula_sum 'Hf6 Zn1 Ga5 Ir12' _cell_volume 372.59724583 _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 0.99999985 0.49999980 0.00002816 1.0 Hf Hf1 1 0.50005499 0.00000015 0.16414946 1.0 Hf Hf2 1 0.00005594 0.49999931 0.33356904 1.0 Hf Hf3 1 0.49999840 0.00000005 0.49995991 1.0 Hf Hf4 1 0.99994377 0.49999997 0.66640894 1.0 Hf Hf5 1 0.49994182 0.99999948 0.83589710 1.0 Zn Zn6 1 0.99999860 0.00000006 0.00003502 1.0 Ga Ga7 1 0.50006327 0.49999961 0.16744563 1.0 Ga Ga8 1 0.00006253 0.99999992 0.33225190 1.0 Ga Ga9 1 0.49999834 0.49999959 0.49993780 1.0 Ga Ga10 1 0.99993285 0.99999969 0.66772277 1.0 Ga Ga11 1 0.49994937 0.49999992 0.83259863 1.0 Ir Ir12 1 0.49999885 0.25347433 0.00002224 1.0 Ir Ir13 1 0.49999724 0.74652536 0.00002226 1.0 Ir Ir14 1 0.00004587 0.25102462 0.16731654 1.0 Ir Ir15 1 0.00004483 0.74897521 0.16731645 1.0 Ir Ir16 1 0.50005126 0.24856892 0.33345238 1.0 Ir Ir17 1 0.50005158 0.75143048 0.33345245 1.0 Ir Ir18 1 0.00000541 0.24980632 0.49996638 1.0 Ir Ir19 1 0.99999193 0.75019336 0.49996645 1.0 Ir Ir20 1 0.49994870 0.24855009 0.66651990 1.0 Ir Ir21 1 0.49994808 0.75144954 0.66652023 1.0 Ir Ir22 1 0.99995611 0.25105321 0.83272098 1.0 Ir Ir23 1 0.99995541 0.74894702 0.83272135 1.0