data_[Ba4In2Br2O6]
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
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3115]
_cell_length_b [4.3115]
_cell_length_c [15.9405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Ba2InBrO3]
_chemical_formula_sum '[Ba4 In2 Br2 O6]'
_cell_volume [296.3116]
_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  0.0000  0.5000  0.6639  1.0
  Ba  Ba1  2  0.0000  0.5000  0.9092  1.0
  In  In2  2  0.0000  0.5000  0.2039  1.0
  Br  Br3  2  0.0000  0.5000  0.4205  1.0
  O  O4  4  0.0000  0.0000  0.2271  1.0
  O  O5  2  0.0000  0.5000  0.0712  1.0
]