data_[Ba6Y4Br4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4494]
_cell_length_b [4.4494]
_cell_length_c [25.4769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba3Y2Br2O5]
_chemical_formula_sum '[Ba6 Y4 Br4 O10]'
_cell_volume [504.3745]
_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  4  0.0000  0.0000  0.1581  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Y  Y2  4  0.0000  0.0000  0.4163  1
  Br  Br3  4  0.0000  0.0000  0.2930  1
  O  O4  8  0.0000  0.5000  0.0944  1
  O  O5  2  0.0000  0.0000  0.5000  1
]