data_[Na2Br2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [4.2155]
_cell_length_b [5.8517]
_cell_length_c [6.8225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaBrO3]
_chemical_formula_sum '[Na2 Br2 O6]'
_cell_volume [164.0048]
_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
[
  Na  Na0  2  0.3132  0.2500  0.1632  1.0
  Br  Br1  2  0.1030  0.2500  0.6637  1.0
  O  O2  4  0.1829  0.0228  0.8215  1.0
  O  O3  2  0.3978  0.2500  0.5349  1.0
]