# generated using pymatgen data_Hf6TiTc12W5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48512873 _cell_length_b 6.34914589 _cell_length_c 13.44725479 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99999536 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6TiTc12W5 _chemical_formula_sum 'Hf6 Ti1 Tc12 W5' _cell_volume 382.93393301 _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 0.50000000 0.00000000 1.0 Hf Hf1 1 0.49999374 0.00000000 0.16495309 1.0 Hf Hf2 1 0.99999177 0.50000000 0.33261846 1.0 Hf Hf3 1 0.50000100 0.00000000 0.50000000 1.0 Hf Hf4 1 0.00000823 0.50000000 0.66738054 1.0 Hf Hf5 1 0.50000726 0.00000000 0.83504591 1.0 Ti Ti6 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc7 1 0.50000000 0.25373790 0.00000000 1.0 Tc Tc8 1 0.50000000 0.74626310 0.00000000 1.0 Tc Tc9 1 0.99999197 0.25091274 0.16876025 1.0 Tc Tc10 1 0.99999197 0.74908726 0.16876025 1.0 Tc Tc11 1 0.49999459 0.24953123 0.33388766 1.0 Tc Tc12 1 0.49999459 0.75046777 0.33388766 1.0 Tc Tc13 1 0.00000000 0.25038402 0.50000000 1.0 Tc Tc14 1 0.00000000 0.74961698 0.50000000 1.0 Tc Tc15 1 0.50000741 0.24953123 0.66611234 1.0 Tc Tc16 1 0.50000741 0.75046777 0.66611234 1.0 Tc Tc17 1 0.00000803 0.25091274 0.83123975 1.0 Tc Tc18 1 0.00000803 0.74908726 0.83123975 1.0 W W19 1 0.49999558 0.50000000 0.16554525 1.0 W W20 1 0.99999689 0.00000000 0.33268083 1.0 W W21 1 0.50000100 0.50000000 0.50000000 1.0 W W22 1 0.00000311 0.00000000 0.66731817 1.0 W W23 1 0.50000342 0.50000000 0.83445475 1.0