# generated using pymatgen data_Ba3CeRu2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96724409 _cell_length_b 5.96724409 _cell_length_c 14.81953600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000101 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3CeRu2O9 _chemical_formula_sum 'Ba6 Ce2 Ru4 O18' _cell_volume 456.99646382 _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 0.33333300 0.66666700 0.59772800 1.0 Ba Ba1 1 0.00000000 0.00000000 0.25000000 1.0 Ba Ba2 1 0.66666700 0.33333300 0.40227200 1.0 Ba Ba3 1 0.66666700 0.33333300 0.09772800 1.0 Ba Ba4 1 0.33333300 0.66666700 0.90227200 1.0 Ba Ba5 1 0.00000000 0.00000000 0.75000000 1.0 Ce Ce6 1 0.00000000 0.00000000 0.50000000 1.0 Ce Ce7 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru8 1 0.33333300 0.66666700 0.33454600 1.0 Ru Ru9 1 0.66666700 0.33333300 0.83454600 1.0 Ru Ru10 1 0.66666700 0.33333300 0.66545400 1.0 Ru Ru11 1 0.33333300 0.66666700 0.16545400 1.0 O O12 1 0.17530700 0.82469300 0.08766300 1.0 O O13 1 0.17530700 0.35061300 0.08766300 1.0 O O14 1 0.64938700 0.82469300 0.08766300 1.0 O O15 1 0.35061300 0.17530700 0.58766300 1.0 O O16 1 0.82469300 0.64938700 0.91233700 1.0 O O17 1 0.82469300 0.17530700 0.58766300 1.0 O O18 1 0.82469300 0.64938700 0.58766300 1.0 O O19 1 0.17530700 0.82469300 0.41233700 1.0 O O20 1 0.64938700 0.82469300 0.41233700 1.0 O O21 1 0.35061300 0.17530700 0.91233700 1.0 O O22 1 0.82469300 0.17530700 0.91233700 1.0 O O23 1 0.17530700 0.35061300 0.41233700 1.0 O O24 1 0.48940000 0.97880100 0.25000000 1.0 O O25 1 0.51060000 0.48940000 0.75000000 1.0 O O26 1 0.97880100 0.48940000 0.75000000 1.0 O O27 1 0.02119900 0.51060000 0.25000000 1.0 O O28 1 0.48940000 0.51060000 0.25000000 1.0 O O29 1 0.51060000 0.02119900 0.75000000 1.0