# generated using pymatgen data_HfTi6Tc12Mo5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39509528 _cell_length_b 6.23479667 _cell_length_c 13.18449997 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00025646 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTi6Tc12Mo5 _chemical_formula_sum 'Hf1 Ti6 Tc12 Mo5' _cell_volume 361.28859575 _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 0.00000000 0.00000000 0.00000000 1.0 Ti Ti1 1 0.00000000 0.50000000 0.00000000 1.0 Ti Ti2 1 0.49995796 0.00000000 0.16831600 1.0 Ti Ti3 1 0.99995433 0.50000000 0.33334019 1.0 Ti Ti4 1 0.50000000 0.00000000 0.50000000 1.0 Ti Ti5 1 0.00004567 0.50000000 0.66665981 1.0 Ti Ti6 1 0.50004104 0.00000000 0.83168400 1.0 Tc Tc7 1 0.50000000 0.25785840 0.00000000 1.0 Tc Tc8 1 0.50000000 0.74214160 0.00000000 1.0 Tc Tc9 1 0.99995501 0.25313563 0.17174216 1.0 Tc Tc10 1 0.99995501 0.74686437 0.17174216 1.0 Tc Tc11 1 0.49995957 0.24985379 0.33510132 1.0 Tc Tc12 1 0.49995957 0.75014521 0.33510132 1.0 Tc Tc13 1 0.00000000 0.25017798 0.50000000 1.0 Tc Tc14 1 0.00000000 0.74982202 0.50000000 1.0 Tc Tc15 1 0.50004143 0.24985379 0.66489868 1.0 Tc Tc16 1 0.50004143 0.75014521 0.66489868 1.0 Tc Tc17 1 0.00004299 0.25313563 0.82825784 1.0 Tc Tc18 1 0.00004299 0.74686437 0.82825784 1.0 Mo Mo19 1 0.49995804 0.50000000 0.16719698 1.0 Mo Mo20 1 0.99995862 0.00000000 0.33447659 1.0 Mo Mo21 1 0.50000000 0.50000000 0.50000000 1.0 Mo Mo22 1 0.00004238 0.00000000 0.66552341 1.0 Mo Mo23 1 0.50004196 0.50000000 0.83280302 1.0