data_[Ba2Sb2Br2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7161]
_cell_length_b [4.3606]
_cell_length_c [7.9402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaSbBrO2]
_chemical_formula_sum '[Ba2 Sb2 Br2 O4]'
_cell_volume [260.7527]
_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  0.3041  0.2500  0.0779  1.0
  Sb  Sb1  2  0.3658  0.2500  0.5871  1.0
  Br  Br2  2  0.0765  0.7500  0.7970  1.0
  O  O3  2  0.4507  0.7500  0.5673  1.0
  O  O4  2  0.4936  0.7500  0.1737  1.0
]