data_[Ba8Al4In4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4210]
_cell_length_b [15.3309]
_cell_length_c [11.2425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2AlInO5]
_chemical_formula_sum '[Ba8 Al4 In4 O20]'
_cell_volume [589.6263]
_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  0.1120  0.6781  1.0
  Ba  Ba1  4  0.0000  0.1308  0.3197  1.0
  Al  Al2  4  0.0000  0.4408  0.4363  1.0
  In  In3  4  0.0000  0.2097  0.0275  1.0
  O  O4  4  0.0000  0.0491  0.0049  1.0
  O  O5  4  0.0000  0.2936  0.6534  1.0
  O  O6  4  0.0000  0.3251  0.3997  1.0
  O  O7  4  0.0000  0.3469  0.0043  1.0
  O  O8  4  0.0000  0.4967  0.3001  1.0
]