# generated using pymatgen data_Ce3ThB24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12443897 _cell_length_b 4.12214531 _cell_length_c 16.49947123 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3ThB24 _chemical_formula_sum 'Ce3 Th1 B24' _cell_volume 280.51636598 _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 0.24879434 1.0 Ce Ce1 1 0.00000000 0.00000000 0.50000000 1.0 Ce Ce2 1 0.00000000 0.00000000 0.75120566 1.0 Th Th3 1 0.00000000 0.00000000 0.00000000 1.0 B B4 1 0.50000000 0.50000000 0.19990084 1.0 B B5 1 0.50000000 0.50000000 0.45003979 1.0 B B6 1 0.50000000 0.50000000 0.70057770 1.0 B B7 1 0.50000000 0.50000000 0.95069440 1.0 B B8 1 0.50000000 0.19827245 0.12458325 1.0 B B9 1 0.50000000 0.19906601 0.37466210 1.0 B B10 1 0.50000000 0.19906601 0.62533790 1.0 B B11 1 0.50000000 0.19827245 0.87541675 1.0 B B12 1 0.19826139 0.50000000 0.12459136 1.0 B B13 1 0.19923080 0.50000000 0.37469275 1.0 B B14 1 0.19923080 0.50000000 0.62530725 1.0 B B15 1 0.19826139 0.50000000 0.87540864 1.0 B B16 1 0.50000000 0.50000000 0.04930560 1.0 B B17 1 0.50000000 0.50000000 0.29942230 1.0 B B18 1 0.50000000 0.50000000 0.54996021 1.0 B B19 1 0.50000000 0.50000000 0.80009916 1.0 B B20 1 0.50000000 0.80172755 0.12458325 1.0 B B21 1 0.50000000 0.80093399 0.37466210 1.0 B B22 1 0.50000000 0.80093399 0.62533790 1.0 B B23 1 0.50000000 0.80172755 0.87541675 1.0 B B24 1 0.80173861 0.50000000 0.12459136 1.0 B B25 1 0.80076920 0.50000000 0.37469275 1.0 B B26 1 0.80076920 0.50000000 0.62530725 1.0 B B27 1 0.80173861 0.50000000 0.87540864 1.0