data_[Ba2Al2In2O8]
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 [P2_1/m]
_cell_length_a [5.5476]
_cell_length_b [5.7975]
_cell_length_c [7.1497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaAlInO4]
_chemical_formula_sum '[Ba2 Al2 In2 O8]'
_cell_volume [218.8436]
_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  0.2846  0.2500  0.0654  1
  Al  Al1  2  0.2633  0.7500  0.3407  1
  In  In2  2  0.1884  0.2500  0.5372  1
  O  O3  4  0.0308  0.5222  0.3089  1
  O  O4  2  0.4392  0.7500  0.1717  1
  O  O5  2  0.4912  0.7500  0.5713  1
]