data_[Ba8In4Fe4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  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 [3.5323]
_cell_length_b [15.2544]
_cell_length_c [11.1268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2InFeO5]
_chemical_formula_sum '[Ba8 In4 Fe4 O20]'
_cell_volume [599.5382]
_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  0.1119  0.6777  1.0
  Ba  Ba1  4  0.0000  0.1327  0.3152  1.0
  In  In2  4  0.0000  0.2112  0.0249  1.0
  Fe  Fe3  4  0.0000  0.4429  0.4441  1.0
  O  O4  4  0.0000  0.0530  0.0215  1.0
  O  O5  4  0.0000  0.2917  0.6496  1.0
  O  O6  4  0.0000  0.3201  0.3924  1.0
  O  O7  4  0.0000  0.3492  0.0022  1.0
  O  O8  4  0.0000  0.4984  0.2962  1.0
]