# generated using pymatgen data_Hf12MnTc6Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58305129 _cell_length_b 6.46178612 _cell_length_c 13.73006457 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99998842 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf12MnTc6Ir5 _chemical_formula_sum 'Hf12 Mn1 Tc6 Ir5' _cell_volume 406.61170514 _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 0.50000100 0.25692552 0.00000000 1.0 Hf Hf1 1 0.50000100 0.74307448 0.00000000 1.0 Hf Hf2 1 0.99999641 0.25356943 0.16228452 1.0 Hf Hf3 1 0.99999641 0.74643157 0.16228452 1.0 Hf Hf4 1 0.49999628 0.24993369 0.33204826 1.0 Hf Hf5 1 0.49999628 0.75006631 0.33204826 1.0 Hf Hf6 1 0.00000000 0.25005816 0.50000000 1.0 Hf Hf7 1 0.00000000 0.74994184 0.50000000 1.0 Hf Hf8 1 0.50000272 0.24993369 0.66795174 1.0 Hf Hf9 1 0.50000272 0.75006631 0.66795174 1.0 Hf Hf10 1 0.00000359 0.25356943 0.83771548 1.0 Hf Hf11 1 0.00000359 0.74643157 0.83771548 1.0 Mn Mn12 1 0.00000000 0.49999900 0.00000000 1.0 Tc Tc13 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc14 1 0.49999605 0.49999900 0.16769487 1.0 Tc Tc15 1 0.99999600 0.00000000 0.33307186 1.0 Tc Tc16 1 0.50000100 0.49999900 0.50000000 1.0 Tc Tc17 1 0.00000400 0.00000000 0.66692814 1.0 Tc Tc18 1 0.50000395 0.49999900 0.83230413 1.0 Ir Ir19 1 0.49999481 0.00000000 0.16673679 1.0 Ir Ir20 1 0.99999650 0.49999900 0.33371548 1.0 Ir Ir21 1 0.50000100 0.00000000 0.50000000 1.0 Ir Ir22 1 0.00000350 0.49999900 0.66628552 1.0 Ir Ir23 1 0.50000419 0.00000000 0.83326321 1.0