# generated using pymatgen data_CeBC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.30860900 _cell_length_b 8.33146900 _cell_length_c 12.13935800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeBC _chemical_formula_sum 'Ce20 B20 C20' _cell_volume 840.32178725 _cell_formula_units_Z 20 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 0.44782700 0.09891100 0.86146600 1.0 Ce Ce1 1 0.93882400 0.80265300 0.63344200 1.0 Ce Ce2 1 0.34286000 0.59064600 0.09667300 1.0 Ce Ce3 1 0.66008900 0.49227100 0.91770600 1.0 Ce Ce4 1 0.84286000 0.90935400 0.90332700 1.0 Ce Ce5 1 0.55217300 0.59891100 0.63853400 1.0 Ce Ce6 1 0.83991100 0.50772900 0.41770600 1.0 Ce Ce7 1 0.25466400 0.29064200 0.32841700 1.0 Ce Ce8 1 0.75466400 0.20935800 0.67158300 1.0 Ce Ce9 1 0.06117600 0.30265300 0.86655800 1.0 Ce Ce10 1 0.05217300 0.90108900 0.36146600 1.0 Ce Ce11 1 0.33991100 0.99227100 0.58229400 1.0 Ce Ce12 1 0.56117600 0.19734700 0.13344200 1.0 Ce Ce13 1 0.74533600 0.79064200 0.17158300 1.0 Ce Ce14 1 0.43882400 0.69734700 0.36655800 1.0 Ce Ce15 1 0.15714000 0.40935400 0.59667300 1.0 Ce Ce16 1 0.16008900 0.00772900 0.08229400 1.0 Ce Ce17 1 0.24533600 0.70935800 0.82841700 1.0 Ce Ce18 1 0.94782700 0.40108900 0.13853400 1.0 Ce Ce19 1 0.65714000 0.09064600 0.40332700 1.0 B B20 1 0.06164900 0.70538100 0.18032500 1.0 B B21 1 0.93835100 0.20538100 0.31967500 1.0 B B22 1 0.39942300 0.98061700 0.26050600 1.0 B B23 1 0.56164900 0.79461900 0.81967500 1.0 B B24 1 0.97892000 0.60750500 0.95955100 1.0 B B25 1 0.87991500 0.09612800 0.21360900 1.0 B B26 1 0.47892000 0.89249500 0.04044900 1.0 B B27 1 0.62008500 0.90387200 0.71360900 1.0 B B28 1 0.10057700 0.01938300 0.76050600 1.0 B B29 1 0.81538300 0.19866700 0.99193900 1.0 B B30 1 0.18461700 0.69866700 0.50806100 1.0 B B31 1 0.89942300 0.51938300 0.73949400 1.0 B B32 1 0.37991500 0.40387200 0.78639100 1.0 B B33 1 0.12008500 0.59612800 0.28639100 1.0 B B34 1 0.43835100 0.29461900 0.68032500 1.0 B B35 1 0.60057700 0.48061700 0.23949400 1.0 B B36 1 0.02108000 0.10750500 0.54044900 1.0 B B37 1 0.52108000 0.39249500 0.45955100 1.0 B B38 1 0.31538300 0.30133300 0.00806100 1.0 B B39 1 0.68461700 0.80133300 0.49193900 1.0 C C40 1 0.05640500 0.11642100 0.66114300 1.0 C C41 1 0.14741500 0.59716800 0.40836700 1.0 C C42 1 0.97244500 0.19907600 0.43990200 1.0 C C43 1 0.85458600 0.50637900 0.62130900 1.0 C C44 1 0.24825200 0.69792700 0.62317300 1.0 C C45 1 0.35258500 0.40283200 0.90836700 1.0 C C46 1 0.94359500 0.61642100 0.83885700 1.0 C C47 1 0.85258500 0.09716800 0.09163300 1.0 C C48 1 0.52755500 0.80092400 0.93990200 1.0 C C49 1 0.47244500 0.30092400 0.56009800 1.0 C C50 1 0.25174800 0.30207300 0.12317300 1.0 C C51 1 0.44359500 0.88357900 0.16114300 1.0 C C52 1 0.14541400 0.00637900 0.87869100 1.0 C C53 1 0.02755500 0.69907600 0.06009800 1.0 C C54 1 0.35458600 0.99362100 0.37869100 1.0 C C55 1 0.75174800 0.19792700 0.87682700 1.0 C C56 1 0.64541400 0.49362100 0.12130900 1.0 C C57 1 0.64741500 0.90283200 0.59163300 1.0 C C58 1 0.74825200 0.80207300 0.37682700 1.0 C C59 1 0.55640500 0.38357900 0.33885700 1.0