data_[Zn2Br6O2]
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 [P1]
_cell_length_a [7.0755]
_cell_length_b [7.1392]
_cell_length_c [7.2084]
_cell_angle_alpha [66.7204]
_cell_angle_beta [79.7535]
_cell_angle_gamma [69.4059]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZnBr3O]
_chemical_formula_sum '[Zn2 Br6 O2]'
_cell_volume [312.7819]
_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
[
  Zn  Zn0  1  0.3821  0.9182  0.8952  1
  Zn  Zn1  1  0.9582  0.8209  0.0235  1
  Br  Br2  1  0.0722  0.7012  0.6968  1
  Br  Br3  1  0.3035  0.9393  0.5543  1
  Br  Br4  1  0.3502  0.5851  0.1290  1
  Br  Br5  1  0.6158  0.1032  0.8501  1
  Br  Br6  1  0.8260  0.5706  0.2913  1
  Br  Br7  1  0.9611  0.2906  0.0489  1
  O  O8  1  0.0815  0.0518  0.9787  1
  O  O9  1  0.8754  0.5093  0.8235  1
]