# generated using pymatgen data_TiCd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20315045 _cell_length_b 6.20315045 _cell_length_c 4.83173700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000477 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCd3 _chemical_formula_sum 'Ti2 Cd6' _cell_volume 161.01210450 _cell_formula_units_Z 2 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 0.33333300 0.66666700 0.75000000 1.0 Ti Ti1 1 0.66666700 0.33333300 0.25000000 1.0 Cd Cd2 1 0.16998400 0.33996800 0.25000000 1.0 Cd Cd3 1 0.66003200 0.83001600 0.25000000 1.0 Cd Cd4 1 0.16998400 0.83001600 0.25000000 1.0 Cd Cd5 1 0.83001600 0.66003200 0.75000000 1.0 Cd Cd6 1 0.33996800 0.16998400 0.75000000 1.0 Cd Cd7 1 0.83001600 0.16998400 0.75000000 1.0