data_[Ba2Ce2O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.5240]
_cell_length_b [4.5240]
_cell_length_c [8.9589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Ba2Ce2O5]
_chemical_formula_sum '[Ba2 Ce2 O5]'
_cell_volume [183.3535]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.0319  1.0
  Ba  Ba1  1  0.0000  0.0000  0.5507  1.0
  Ce  Ce2  1  0.5000  0.5000  0.2588  1.0
  Ce  Ce3  1  0.5000  0.5000  0.7556  1.0
  O  O4  2  0.0000  0.5000  0.2027  1.0
  O  O5  2  0.0000  0.5000  0.7464  1.0
  O  O6  1  0.5000  0.5000  0.5047  1.0
]