# generated using pymatgen data_ThCd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.01245802 _cell_length_b 10.01245802 _cell_length_c 10.12490400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000010 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThCd5 _chemical_formula_sum 'Th6 Cd30' _cell_volume 879.02851070 _cell_formula_units_Z 6 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 Th Th0 1 0.19220200 0.80779800 0.25000000 1.0 Th Th1 1 0.19220200 0.38440500 0.25000000 1.0 Th Th2 1 0.61559500 0.80779800 0.25000000 1.0 Th Th3 1 0.80779800 0.19220200 0.75000000 1.0 Th Th4 1 0.80779800 0.61559500 0.75000000 1.0 Th Th5 1 0.38440500 0.19220200 0.75000000 1.0 Cd Cd6 1 0.00000000 0.00000000 0.50000000 1.0 Cd Cd7 1 0.00000000 0.00000000 0.00000000 1.0 Cd Cd8 1 0.33333300 0.66666700 0.46863700 1.0 Cd Cd9 1 0.66666700 0.33333300 0.53136300 1.0 Cd Cd10 1 0.66666700 0.33333300 0.96863700 1.0 Cd Cd11 1 0.33333300 0.66666700 0.03136300 1.0 Cd Cd12 1 0.50000000 0.50000000 0.50000000 1.0 Cd Cd13 1 0.50000000 0.00000000 0.50000000 1.0 Cd Cd14 1 0.00000000 0.50000000 0.50000000 1.0 Cd Cd15 1 0.50000000 0.50000000 0.00000000 1.0 Cd Cd16 1 0.50000000 0.00000000 0.00000000 1.0 Cd Cd17 1 0.00000000 0.50000000 0.00000000 1.0 Cd Cd18 1 0.56627000 0.43373000 0.25000000 1.0 Cd Cd19 1 0.56627000 0.13254000 0.25000000 1.0 Cd Cd20 1 0.86746000 0.43373000 0.25000000 1.0 Cd Cd21 1 0.43373000 0.56627000 0.75000000 1.0 Cd Cd22 1 0.43373000 0.86746000 0.75000000 1.0 Cd Cd23 1 0.13254000 0.56627000 0.75000000 1.0 Cd Cd24 1 0.84369200 0.15630800 0.40391600 1.0 Cd Cd25 1 0.84369200 0.68738500 0.40391600 1.0 Cd Cd26 1 0.31261500 0.15630800 0.40391600 1.0 Cd Cd27 1 0.15630800 0.84369200 0.59608400 1.0 Cd Cd28 1 0.15630800 0.31261500 0.59608400 1.0 Cd Cd29 1 0.68738500 0.84369200 0.59608400 1.0 Cd Cd30 1 0.15630800 0.84369200 0.90391600 1.0 Cd Cd31 1 0.15630800 0.31261500 0.90391600 1.0 Cd Cd32 1 0.68738500 0.84369200 0.90391600 1.0 Cd Cd33 1 0.84369200 0.15630800 0.09608400 1.0 Cd Cd34 1 0.84369200 0.68738500 0.09608400 1.0 Cd Cd35 1 0.31261500 0.15630800 0.09608400 1.0