data_[Na8H2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.1489]
_cell_length_b [8.3197]
_cell_length_c [7.0836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Na4HBr3]
_chemical_formula_sum '[Na8 H2 Br6]'
_cell_volume [397.5859]
_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  4  0.2147  0.1030  0.0023  1
  Na  Na1  4  0.2515  0.3683  0.4950  1
  H  H2  2  0.0000  0.0959  0.2500  1
  Br  Br3  2  0.0000  0.3741  0.7500  1
  Br  Br4  2  0.5000  0.1238  0.7500  1
  Br  Br5  2  0.5000  0.3643  0.2500  1
]