# generated using pymatgen data_Ba4Ce2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76800418 _cell_length_b 7.76800418 _cell_length_c 12.26184400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 132.89288528 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Ce2O7 _chemical_formula_sum 'Ba8 Ce4 O14' _cell_volume 542.07310211 _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 0.62870200 0.93735700 0.88029200 1.0 Ba Ba1 1 0.56264300 0.87129800 0.38029200 1.0 Ba Ba2 1 0.93735700 0.62870200 0.88029200 1.0 Ba Ba3 1 0.12870200 0.43735700 0.61970800 1.0 Ba Ba4 1 0.87129800 0.56264300 0.38029200 1.0 Ba Ba5 1 0.06264300 0.37129800 0.11970800 1.0 Ba Ba6 1 0.43735700 0.12870200 0.61970800 1.0 Ba Ba7 1 0.37129800 0.06264300 0.11970800 1.0 Ce Ce8 1 0.76868700 0.76868700 0.63086900 1.0 Ce Ce9 1 0.73131300 0.73131300 0.13086900 1.0 Ce Ce10 1 0.26868700 0.26868700 0.86913100 1.0 Ce Ce11 1 0.23131300 0.23131300 0.36913100 1.0 O O12 1 0.59648700 0.92011700 0.61772800 1.0 O O13 1 0.57988300 0.90351300 0.11772800 1.0 O O14 1 0.00000000 0.00000000 0.00000000 1.0 O O15 1 0.90140000 0.90140000 0.28949800 1.0 O O16 1 0.09648700 0.42011700 0.88227200 1.0 O O17 1 0.92011700 0.59648700 0.61772800 1.0 O O18 1 0.07988300 0.40351300 0.38227200 1.0 O O19 1 0.90351300 0.57988300 0.11772800 1.0 O O20 1 0.59860000 0.59860000 0.78949800 1.0 O O21 1 0.50000000 0.50000000 0.50000000 1.0 O O22 1 0.40140000 0.40140000 0.21050200 1.0 O O23 1 0.42011700 0.09648700 0.88227200 1.0 O O24 1 0.40351300 0.07988300 0.38227200 1.0 O O25 1 0.09860000 0.09860000 0.71050200 1.0