data_[Na20Br8O4]
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 [Cmcm]
_cell_length_a [4.7872]
_cell_length_b [14.3992]
_cell_length_c [13.8632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na5Br2O]
_chemical_formula_sum '[Na20 Br8 O4]'
_cell_volume [955.6086]
_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  0.0000  0.0476  0.1367  1
  Na  Na1  8  0.0000  0.2714  0.1238  1
  Na  Na2  4  0.0000  0.3298  0.7500  1
  Br  Br3  8  0.0000  0.1402  0.5539  1
  O  O4  4  0.0000  0.1666  0.2500  1
]