data_[Na14I4Br2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6612]
_cell_length_b [4.6612]
_cell_length_c [25.4411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Na7I2BrO2]
_chemical_formula_sum '[Na14 I4 Br2 O4]'
_cell_volume [552.7453]
_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  8  0.0000  0.5000  0.0898  1.0
  Na  Na1  4  0.0000  0.0000  0.3194  1.0
  Na  Na2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.0000  0.0000  0.1879  1.0
  Br  Br4  2  0.0000  0.0000  0.0000  1.0
  O  O5  4  0.0000  0.0000  0.4098  1.0
]