data_[Ba2Ca2Fe8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [8.2088]
_cell_length_b [9.2909]
_cell_length_c [5.1863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaCa(FeO2)4]
_chemical_formula_sum '[Ba2 Ca2 Fe8 O16]'
_cell_volume [395.5421]
_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  0.0000  0.0000  0.9843  1
  Ca  Ca1  2  0.0000  0.5000  0.5678  1
  Fe  Fe2  8  0.2126  0.3326  0.0390  1
  O  O3  8  0.2026  0.3406  0.4029  1
  O  O4  4  0.0000  0.3257  0.9052  1
  O  O5  4  0.1813  0.0000  0.4252  1
]