data_[Ba4Se4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0788]
_cell_length_b [6.5397]
_cell_length_c [7.1258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaSeBrO4]
_chemical_formula_sum '[Ba4 Se4 Br4 O16]'
_cell_volume [582.7152]
_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  0.1735  0.5000  0.7553  1.0
  Se  Se1  4  0.1579  0.5000  0.2461  1.0
  Br  Br2  4  0.0139  0.0000  0.6680  1.0
  O  O3  8  0.1649  0.2954  0.1060  1.0
  O  O4  4  0.0473  0.5000  0.3197  1.0
  O  O5  4  0.2389  0.0000  0.5504  1.0
]