data_[Zn4Br8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [8.4854]
_cell_length_b [9.6909]
_cell_length_c [6.1434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [60]
_chemical_formula_structural [ZnBr2O5]
_chemical_formula_sum '[Zn4 Br8 O20]'
_cell_volume [505.1764]
_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
[
  Zn  Zn0  4  0.0000  0.0717  0.2500  1
  Br  Br1  8  0.1800  0.3710  0.0641  1
  O  O2  8  0.1144  0.0823  0.5521  1
  O  O3  8  0.1918  0.1996  0.1309  1
  O  O4  4  0.0000  0.4266  0.2500  1
]