# generated using pymatgen data_Ce(ThB8)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11351453 _cell_length_b 4.11351453 _cell_length_c 16.44739990 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce(ThB8)3 _chemical_formula_sum 'Ce1 Th3 B24' _cell_volume 278.30648380 _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 Ce Ce0 1 0.00000000 0.00000000 0.50000000 1.0 Th Th1 1 0.00000000 0.00000000 0.00000000 1.0 Th Th2 1 0.00000000 0.00000000 0.24753557 1.0 Th Th3 1 0.00000000 0.00000000 0.75246443 1.0 B B4 1 0.50000000 0.50000000 0.20052038 1.0 B B5 1 0.50000000 0.50000000 0.45019457 1.0 B B6 1 0.50000000 0.50000000 0.70065362 1.0 B B7 1 0.50000000 0.50000000 0.95075361 1.0 B B8 1 0.50000000 0.19750230 0.12485661 1.0 B B9 1 0.50000000 0.19838304 0.37473480 1.0 B B10 1 0.50000000 0.19838304 0.62526520 1.0 B B11 1 0.50000000 0.19750230 0.87514339 1.0 B B12 1 0.19750230 0.50000000 0.12485661 1.0 B B13 1 0.19838304 0.50000000 0.37473480 1.0 B B14 1 0.19838304 0.50000000 0.62526520 1.0 B B15 1 0.19750230 0.50000000 0.87514339 1.0 B B16 1 0.50000000 0.50000000 0.04924639 1.0 B B17 1 0.50000000 0.50000000 0.29934638 1.0 B B18 1 0.50000000 0.50000000 0.54980543 1.0 B B19 1 0.50000000 0.50000000 0.79947962 1.0 B B20 1 0.50000000 0.80249770 0.12485661 1.0 B B21 1 0.50000000 0.80161696 0.37473480 1.0 B B22 1 0.50000000 0.80161696 0.62526520 1.0 B B23 1 0.50000000 0.80249770 0.87514339 1.0 B B24 1 0.80249770 0.50000000 0.12485661 1.0 B B25 1 0.80161696 0.50000000 0.37473480 1.0 B B26 1 0.80161696 0.50000000 0.62526520 1.0 B B27 1 0.80249770 0.50000000 0.87514339 1.0