data_[Na10H2Br8]
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 [I4/mmm]
_cell_length_a [4.1942]
_cell_length_b [4.1942]
_cell_length_c [29.1052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Na5HBr4]
_chemical_formula_sum '[Na10 H2 Br8]'
_cell_volume [511.9888]
_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  0.0000  0.0000  0.0862  1.0
  Na  Na1  4  0.0000  0.0000  0.3000  1.0
  Na  Na2  2  0.0000  0.0000  0.5000  1.0
  H  H3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.0000  0.1966  1.0
  Br  Br5  4  0.0000  0.0000  0.4043  1.0
]