data_[Na16I4Br4O4]
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 [Cmcm]
_cell_length_a [6.5450]
_cell_length_b [15.6666]
_cell_length_c [6.5552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na4IBrO]
_chemical_formula_sum '[Na16 I4 Br4 O4]'
_cell_volume [672.1589]
_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
[
  Na  Na0  8  0.2500  0.2500  0.0000  1
  Na  Na1  4  0.0000  0.1068  0.2500  1
  Na  Na2  4  0.0000  0.3998  0.2500  1
  I  I3  4  0.0000  0.0949  0.7500  1
  Br  Br4  4  0.0000  0.3984  0.7500  1
  O  O5  4  0.0000  0.2522  0.2500  1
]