data_[Ba2Ce1Nb1O6]
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
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3187]
_cell_length_b [4.3187]
_cell_length_c [8.7386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ba2CeNbO6]
_chemical_formula_sum '[Ba2 Ce1 Nb1 O6]'
_cell_volume [162.9849]
_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  2  0.0000  0.0000  0.2658  1
  Ce  Ce1  1  0.5000  0.5000  0.0000  1
  Nb  Nb2  1  0.5000  0.5000  0.5000  1
  O  O3  2  0.0000  0.5000  0.0000  1
  O  O4  2  0.0000  0.5000  0.5000  1
  O  O5  2  0.5000  0.5000  0.2710  1
]