# generated using pymatgen data_Ti20(CoB2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.34246843 _cell_length_b 8.34246843 _cell_length_c 8.34246843 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti20(CoB2)3 _chemical_formula_sum 'Ti20 Co3 B6' _cell_volume 410.55251603 _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 Ti Ti0 1 0.37632100 0.37632100 0.37632100 1.0 Ti Ti1 1 0.62367900 0.62367900 0.62367900 1.0 Ti Ti2 1 0.37632100 0.37632100 0.87103800 1.0 Ti Ti3 1 0.37632100 0.87103800 0.37632100 1.0 Ti Ti4 1 0.62367900 0.62367900 0.12896200 1.0 Ti Ti5 1 0.62367900 0.12896200 0.62367900 1.0 Ti Ti6 1 0.87103800 0.37632100 0.37632100 1.0 Ti Ti7 1 0.12896200 0.62367900 0.62367900 1.0 Ti Ti8 1 0.33463300 0.00000000 0.00000000 1.0 Ti Ti9 1 0.66536700 0.00000000 0.00000000 1.0 Ti Ti10 1 0.00000000 0.33463300 0.66536700 1.0 Ti Ti11 1 0.00000000 0.66536700 0.33463300 1.0 Ti Ti12 1 0.00000000 0.33463300 0.00000000 1.0 Ti Ti13 1 0.66536700 0.00000000 0.33463300 1.0 Ti Ti14 1 0.00000000 0.66536700 0.00000000 1.0 Ti Ti15 1 0.33463300 0.00000000 0.66536700 1.0 Ti Ti16 1 0.00000000 0.00000000 0.33463300 1.0 Ti Ti17 1 0.00000000 0.00000000 0.66536700 1.0 Ti Ti18 1 0.66536700 0.33463300 0.00000000 1.0 Ti Ti19 1 0.33463300 0.66536700 0.00000000 1.0 Co Co20 1 0.25000000 0.25000000 0.25000000 1.0 Co Co21 1 0.75000000 0.75000000 0.75000000 1.0 Co Co22 1 0.00000000 0.00000000 0.00000000 1.0 B B23 1 0.71970300 0.28029700 0.28029700 1.0 B B24 1 0.28029700 0.71970300 0.71970300 1.0 B B25 1 0.28029700 0.71970300 0.28029700 1.0 B B26 1 0.71970300 0.28029700 0.71970300 1.0 B B27 1 0.28029700 0.28029700 0.71970300 1.0 B B28 1 0.71970300 0.71970300 0.28029700 1.0