data_[Ba8Fe8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [16.3947]
_cell_length_b [5.9160]
_cell_length_c [5.8073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ba2Fe2O5]
_chemical_formula_sum '[Ba8 Fe8 O20]'
_cell_volume [563.2495]
_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  8  0.1122  0.0097  0.4997  1.0
  Fe  Fe1  4  0.0000  0.0000  0.9969  1.0
  Fe  Fe2  4  0.2500  0.5692  0.5255  1.0
  O  O3  8  0.0043  0.7473  0.7484  1.0
  O  O4  8  0.1405  0.0370  0.9871  1.0
  O  O5  4  0.2500  0.6594  0.8433  1.0
]