data_[Ba8In8O20]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [16.8984]
_cell_length_b [6.2373]
_cell_length_c [6.0565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ba2In2O5]
_chemical_formula_sum '[Ba8 In8 O20]'
_cell_volume [638.3511]
_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  0.1090  0.0179  0.5202  1.0
  In  In1  4  0.0000  0.0000  0.0253  1.0
  In  In2  4  0.2500  0.5666  0.4931  1.0
  O  O3  8  0.0082  0.7452  0.2710  1.0
  O  O4  8  0.1378  0.0550  0.0487  1.0
  O  O5  4  0.2500  0.6296  0.1485  1.0
]