data_[Ba8Ce4Fe4O20]
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
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6550]
_cell_length_b [14.9893]
_cell_length_c [11.4695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2CeFeO5]
_chemical_formula_sum '[Ba8 Ce4 Fe4 O20]'
_cell_volume [628.3627]
_cell_formula_units_Z [4]
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  4  0.0000  0.0998  0.6766  1.0
  Ba  Ba1  4  0.0000  0.1317  0.3158  1.0
  Ce  Ce2  4  0.0000  0.2051  0.0203  1.0
  Fe  Fe3  4  0.0000  0.4562  0.4454  1.0
  O  O4  4  0.0000  0.0515  0.0321  1.0
  O  O5  4  0.0000  0.2846  0.6459  1.0
  O  O6  4  0.0000  0.3127  0.3981  1.0
  O  O7  4  0.0000  0.3488  0.0008  1.0
  O  O8  4  0.0000  0.4975  0.7889  1.0
]