# generated using pymatgen data_Hf6Ti4Ga12Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70128865 _cell_length_b 8.70128866 _cell_length_c 8.70128957 _cell_angle_alpha 60.00000024 _cell_angle_beta 60.00000022 _cell_angle_gamma 60.00000017 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Ti4Ga12Ir7 _chemical_formula_sum 'Hf6 Ti4 Ga12 Ir7' _cell_volume 465.83892867 _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 0.69064520 0.69064520 0.30935480 1.0 Hf Hf1 1 0.30935480 0.69064520 0.30935480 1.0 Hf Hf2 1 0.69064520 0.30935480 0.30935480 1.0 Hf Hf3 1 0.30935480 0.30935480 0.69064520 1.0 Hf Hf4 1 0.69064520 0.30935480 0.69064520 1.0 Hf Hf5 1 0.30935480 0.69064520 0.69064520 1.0 Ti Ti6 1 0.87858833 0.87858833 0.36423502 1.0 Ti Ti7 1 0.87858833 0.36423502 0.87858833 1.0 Ti Ti8 1 0.36423502 0.87858833 0.87858833 1.0 Ti Ti9 1 0.87858833 0.87858833 0.87858833 1.0 Ga Ga10 1 0.11990453 0.11990453 0.64028641 1.0 Ga Ga11 1 0.11990453 0.64028641 0.11990453 1.0 Ga Ga12 1 0.64028641 0.11990453 0.11990453 1.0 Ga Ga13 1 0.11990453 0.11990453 0.11990453 1.0 Ga Ga14 1 0.65777467 0.65777467 0.02667598 1.0 Ga Ga15 1 0.65777467 0.02667598 0.65777467 1.0 Ga Ga16 1 0.02667598 0.65777467 0.65777467 1.0 Ga Ga17 1 0.65777467 0.65777467 0.65777467 1.0 Ga Ga18 1 0.34125010 0.34125010 0.97624871 1.0 Ga Ga19 1 0.34125010 0.97624871 0.34125010 1.0 Ga Ga20 1 0.97624871 0.34125010 0.34125010 1.0 Ga Ga21 1 0.34125010 0.34125010 0.34125010 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.99775277 0.99775277 0.50224723 1.0 Ir Ir24 1 0.50224723 0.99775277 0.50224723 1.0 Ir Ir25 1 0.99775277 0.50224723 0.50224723 1.0 Ir Ir26 1 0.50224723 0.50224723 0.99775277 1.0 Ir Ir27 1 0.99775277 0.50224723 0.99775277 1.0 Ir Ir28 1 0.50224723 0.99775277 0.99775277 1.0