# generated using pymatgen data_Hf6Ti16Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90854184 _cell_length_b 8.90854267 _cell_length_c 8.90854260 _cell_angle_alpha 60.00000391 _cell_angle_beta 60.00000084 _cell_angle_gamma 60.00000574 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Ti16Ir7 _chemical_formula_sum 'Hf6 Ti16 Ir7' _cell_volume 499.92515103 _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 0.68192593 0.31807407 0.31807407 1.0 Hf Hf1 1 0.31807407 0.68192593 0.68192593 1.0 Hf Hf2 1 0.31807407 0.68192593 0.31807407 1.0 Hf Hf3 1 0.68192593 0.31807407 0.68192593 1.0 Hf Hf4 1 0.31807407 0.31807407 0.68192593 1.0 Hf Hf5 1 0.68192593 0.68192593 0.31807407 1.0 Ti Ti6 1 0.33131279 0.33131279 0.33131279 1.0 Ti Ti7 1 0.66868721 0.66868721 0.66868721 1.0 Ti Ti8 1 0.33131279 0.33131279 0.00606262 1.0 Ti Ti9 1 0.33131279 0.00606262 0.33131279 1.0 Ti Ti10 1 0.66868721 0.66868721 0.99393738 1.0 Ti Ti11 1 0.66868721 0.99393738 0.66868721 1.0 Ti Ti12 1 0.00606262 0.33131279 0.33131279 1.0 Ti Ti13 1 0.99393738 0.66868721 0.66868721 1.0 Ti Ti14 1 0.11768194 0.11768194 0.11768194 1.0 Ti Ti15 1 0.88231806 0.88231806 0.88231806 1.0 Ti Ti16 1 0.11768194 0.11768194 0.64695418 1.0 Ti Ti17 1 0.11768194 0.64695418 0.11768194 1.0 Ti Ti18 1 0.88231806 0.88231806 0.35304582 1.0 Ti Ti19 1 0.88231806 0.35304582 0.88231806 1.0 Ti Ti20 1 0.64695418 0.11768194 0.11768194 1.0 Ti Ti21 1 0.35304582 0.88231806 0.88231806 1.0 Ir Ir22 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir24 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir25 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir27 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir28 1 0.00000000 0.00000000 0.00000000 1.0