data_[Na2Bi6Br4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.6264]
_cell_length_b [5.6326]
_cell_length_c [12.8985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NaBi3(BrO2)2]
_chemical_formula_sum '[Na2 Bi6 Br4 O8]'
_cell_volume [408.7689]
_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  0.5000  0.0000  0.6561  1.0
  Bi  Bi1  2  0.0000  0.0000  0.1630  1.0
  Bi  Bi2  2  0.0000  0.0000  0.8371  1.0
  Bi  Bi3  2  0.5000  0.0000  0.3380  1.0
  Br  Br4  2  0.0000  0.0000  0.5045  1.0
  Br  Br5  2  0.5000  0.0000  0.9925  1.0
  O  O6  8  0.2427  0.2419  0.2522  1.0
]