data_[Ba2Sr2Ce4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Ce  1.1200  1.8500  1.0800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1686]
_cell_length_b [8.7730]
_cell_length_c [6.2493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaSrCe2O6]
_chemical_formula_sum '[Ba2 Sr2 Ce4 O12]'
_cell_volume [338.1932]
_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  2  0.0079  0.2500  0.0346  1.0
  Sr  Sr1  2  0.4904  0.2500  0.5381  1.0
  Ce  Ce2  2  0.0000  0.0000  0.5000  1.0
  Ce  Ce3  2  0.5000  0.0000  0.0000  1.0
  O  O4  4  0.2090  0.0435  0.7901  1.0
  O  O5  4  0.2951  0.0543  0.2951  1.0
  O  O6  2  0.1032  0.7500  0.5180  1.0
  O  O7  2  0.4188  0.7500  0.0468  1.0
]