data_[Ba2H2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0205]
_cell_length_b [8.2293]
_cell_length_c [8.6456]
_cell_angle_alpha [61.7685]
_cell_angle_beta [74.4390]
_cell_angle_gamma [73.6540]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaHBr2]
_chemical_formula_sum '[Ba2 H2 Br4]'
_cell_volume [298.1053]
_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
[
  Ba  Ba0  2  0.2607  0.7374  0.7415  1.0
  H  H1  2  0.4775  0.5446  0.4600  1.0
  Br  Br2  2  0.1417  0.5558  0.1764  1.0
  Br  Br3  2  0.3481  0.9782  0.3070  1.0
]