# generated using pymatgen data_Hf6TiTc12Mo5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48240292 _cell_length_b 6.34584216 _cell_length_c 13.42961871 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00003286 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6TiTc12Mo5 _chemical_formula_sum 'Hf6 Ti1 Tc12 Mo5' _cell_volume 382.00042008 _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 0.50000100 0.00000000 1.0 Hf Hf1 1 0.49999478 0.00000000 0.16501959 1.0 Hf Hf2 1 0.99999572 0.50000100 0.33262460 1.0 Hf Hf3 1 0.50000100 0.00000000 0.50000000 1.0 Hf Hf4 1 0.00000428 0.50000100 0.66737540 1.0 Hf Hf5 1 0.50000422 0.00000000 0.83498041 1.0 Ti Ti6 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc7 1 0.50000100 0.25335647 0.00000000 1.0 Tc Tc8 1 0.50000100 0.74664253 0.00000000 1.0 Tc Tc9 1 0.99999418 0.25052537 0.16852210 1.0 Tc Tc10 1 0.99999418 0.74947463 0.16852210 1.0 Tc Tc11 1 0.49999660 0.24955251 0.33383354 1.0 Tc Tc12 1 0.49999660 0.75044749 0.33383354 1.0 Tc Tc13 1 0.00000000 0.25050525 0.50000000 1.0 Tc Tc14 1 0.00000000 0.74949375 0.50000000 1.0 Tc Tc15 1 0.50000540 0.24955251 0.66616646 1.0 Tc Tc16 1 0.50000540 0.75044749 0.66616646 1.0 Tc Tc17 1 0.00000582 0.25052537 0.83147790 1.0 Tc Tc18 1 0.00000582 0.74947463 0.83147790 1.0 Mo Mo19 1 0.49999673 0.50000100 0.16577994 1.0 Mo Mo20 1 0.99999594 0.00000000 0.33264022 1.0 Mo Mo21 1 0.50000100 0.50000100 0.50000000 1.0 Mo Mo22 1 0.00000406 0.00000000 0.66735978 1.0 Mo Mo23 1 0.50000427 0.50000100 0.83422006 1.0