# generated using pymatgen data_Hf12AlTc6Ru5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57188604 _cell_length_b 6.50495717 _cell_length_c 13.74050572 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00024650 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf12AlTc6Ru5 _chemical_formula_sum 'Hf12 Al1 Tc6 Ru5' _cell_volume 408.64158073 _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 0.50000200 0.24045097 0.00000000 1.0 Hf Hf1 1 0.50000200 0.75954903 0.00000000 1.0 Hf Hf2 1 0.99999151 0.24647241 0.17080346 1.0 Hf Hf3 1 0.99999151 0.75352759 0.17080346 1.0 Hf Hf4 1 0.49999337 0.25025477 0.33445182 1.0 Hf Hf5 1 0.49999337 0.74974523 0.33445182 1.0 Hf Hf6 1 0.00000000 0.24999811 0.50000000 1.0 Hf Hf7 1 0.00000000 0.75000289 0.50000000 1.0 Hf Hf8 1 0.50000763 0.25025477 0.66554818 1.0 Hf Hf9 1 0.50000763 0.74974523 0.66554818 1.0 Hf Hf10 1 0.00000849 0.24647241 0.82919654 1.0 Hf Hf11 1 0.00000849 0.75352759 0.82919654 1.0 Al Al12 1 0.00000000 0.50000100 0.00000000 1.0 Tc Tc13 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc14 1 0.49998973 0.50000100 0.16234900 1.0 Tc Tc15 1 0.99999236 0.00000000 0.33396209 1.0 Tc Tc16 1 0.50000200 0.50000100 0.50000000 1.0 Tc Tc17 1 0.00000764 0.00000000 0.66603791 1.0 Tc Tc18 1 0.50000927 0.50000100 0.83765100 1.0 Ru Ru19 1 0.49999274 0.00000000 0.16762213 1.0 Ru Ru20 1 0.99999321 0.50000100 0.33280585 1.0 Ru Ru21 1 0.50000200 0.00000000 0.50000000 1.0 Ru Ru22 1 0.00000679 0.50000100 0.66719315 1.0 Ru Ru23 1 0.50000826 0.00000000 0.83237787 1.0