# generated using pymatgen data_Hf12AlTc6Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59828516 _cell_length_b 6.50135867 _cell_length_c 13.79896176 _cell_angle_alpha 90.00029429 _cell_angle_beta 90.00027051 _cell_angle_gamma 90.00007160 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf12AlTc6Ir5 _chemical_formula_sum 'Hf12 Al1 Tc6 Ir5' _cell_volume 412.52135722 _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 0.50000000 0.24565532 0.00000100 1.0 Hf Hf1 1 0.50000200 0.75434468 0.99999900 1.0 Hf Hf2 1 0.99999490 0.24827725 0.16883028 1.0 Hf Hf3 1 0.99999490 0.75172075 0.16883028 1.0 Hf Hf4 1 0.49999405 0.25024886 0.33402072 1.0 Hf Hf5 1 0.49999605 0.74975114 0.33402072 1.0 Hf Hf6 1 0.00000100 0.25045144 0.50000000 1.0 Hf Hf7 1 0.99999900 0.74954856 0.50000000 1.0 Hf Hf8 1 0.50000295 0.25024886 0.66597928 1.0 Hf Hf9 1 0.50000495 0.74975114 0.66597928 1.0 Hf Hf10 1 0.00000510 0.24828025 0.83116972 1.0 Hf Hf11 1 0.00000510 0.75172375 0.83116972 1.0 Al Al12 1 0.00000000 0.49999900 0.00000000 1.0 Tc Tc13 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc14 1 0.49999292 0.50000000 0.16439759 1.0 Tc Tc15 1 0.99999567 0.00000100 0.33410720 1.0 Tc Tc16 1 0.50000100 0.49999900 0.50000000 1.0 Tc Tc17 1 0.00000433 0.99999900 0.66589280 1.0 Tc Tc18 1 0.50000708 0.49999800 0.83560141 1.0 Ir Ir19 1 0.49999499 0.00000000 0.16810235 1.0 Ir Ir20 1 0.00000444 0.49999800 0.33385660 1.0 Ir Ir21 1 0.50000100 0.00000000 0.50000000 1.0 Ir Ir22 1 0.99999556 0.50000000 0.66614440 1.0 Ir Ir23 1 0.50000401 1.00000000 0.83189765 1.0