data_[Na8H10Br2]
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 [Pmmn]
_cell_length_a [7.7199]
_cell_length_b [11.1141]
_cell_length_c [3.9919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Na4H5Br]
_chemical_formula_sum '[Na8 H10 Br2]'
_cell_volume [342.5035]
_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  0.2766  0.0990  1
  Na  Na1  4  0.2061  0.5000  0.5827  1
  H  H2  8  0.2062  0.2635  0.5587  1
  H  H3  2  0.0000  0.5000  0.1595  1
  Br  Br4  2  0.0000  0.0000  0.9553  1
]