# generated using pymatgen data_Ti2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.89567629 _cell_length_b 7.89567629 _cell_length_c 7.89567629 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2Co _chemical_formula_sum 'Ti16 Co8' _cell_volume 348.05911124 _cell_formula_units_Z 8 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 0.50000000 0.50000000 0.00000000 1.0 Ti Ti1 1 0.50000000 -0.00000000 0.50000000 1.0 Ti Ti2 1 -0.00000000 0.50000000 0.50000000 1.0 Ti Ti3 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti4 1 0.93829921 0.31170079 0.31170079 1.0 Ti Ti5 1 0.31170079 0.93829921 0.93829921 1.0 Ti Ti6 1 0.31170079 0.93829921 0.31170079 1.0 Ti Ti7 1 0.93829921 0.31170079 0.93829921 1.0 Ti Ti8 1 0.31170079 0.31170079 0.93829921 1.0 Ti Ti9 1 0.93829921 0.93829921 0.31170079 1.0 Ti Ti10 1 0.06170079 0.68829921 0.68829921 1.0 Ti Ti11 1 0.68829921 0.06170079 0.06170079 1.0 Ti Ti12 1 0.68829921 0.06170079 0.68829921 1.0 Ti Ti13 1 0.06170079 0.68829921 0.06170079 1.0 Ti Ti14 1 0.68829921 0.68829921 0.06170079 1.0 Ti Ti15 1 0.06170079 0.06170079 0.68829921 1.0 Co Co16 1 0.28243594 0.28243594 0.65269318 1.0 Co Co17 1 0.28243594 0.65269318 0.28243594 1.0 Co Co18 1 0.65269318 0.28243594 0.28243594 1.0 Co Co19 1 0.28243594 0.28243594 0.28243594 1.0 Co Co20 1 0.71756406 0.71756406 0.34730682 1.0 Co Co21 1 0.71756406 0.34730682 0.71756406 1.0 Co Co22 1 0.34730682 0.71756406 0.71756406 1.0 Co Co23 1 0.71756406 0.71756406 0.71756406 1.0