data_[Ba2In2Fe2O8]
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 [P2_1/m]
_cell_length_a [5.7485]
_cell_length_b [5.8665]
_cell_length_c [7.2242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaInFeO4]
_chemical_formula_sum '[Ba2 In2 Fe2 O8]'
_cell_volume [230.5965]
_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  0.2784  0.2500  0.0558  1
  In  In1  2  0.1726  0.2500  0.5327  1
  Fe  Fe2  2  0.2729  0.7500  0.3410  1
  O  O3  4  0.0177  0.5188  0.3080  1
  O  O4  2  0.4496  0.7500  0.1637  1
  O  O5  2  0.4766  0.2500  0.4216  1
]