# generated using pymatgen data_Ba2Ce2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47533974 _cell_length_b 6.21447605 _cell_length_c 12.66768668 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Ce2O5 _chemical_formula_sum 'Ba4 Ce4 O10' _cell_volume 352.31232914 _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 Ba Ba0 1 0.00000000 0.24449060 0.39274609 1.0 Ba Ba1 1 -0.00000000 0.25550940 0.89274609 1.0 Ba Ba2 1 0.00000000 0.74449060 0.10725391 1.0 Ba Ba3 1 -0.00000000 0.75550940 0.60725391 1.0 Ce Ce4 1 0.50000000 0.24158627 0.13571095 1.0 Ce Ce5 1 0.50000000 0.25841373 0.63571095 1.0 Ce Ce6 1 0.50000000 0.74158627 0.36428905 1.0 Ce Ce7 1 0.50000000 0.75841373 0.86428905 1.0 O O8 1 0.50000000 0.00000000 0.50000000 1.0 O O9 1 0.50000000 0.09899919 0.79180086 1.0 O O10 1 0.00000000 0.19166161 0.10307340 1.0 O O11 1 -0.00000000 0.30833839 0.60307340 1.0 O O12 1 0.50000000 0.40100081 0.29180086 1.0 O O13 1 0.50000000 0.50000000 0.00000000 1.0 O O14 1 0.50000000 0.59899919 0.70819914 1.0 O O15 1 -0.00000000 0.69166161 0.39692660 1.0 O O16 1 -0.00000000 0.80833839 0.89692660 1.0 O O17 1 0.50000000 0.90100081 0.20819914 1.0