data_[Cs2H2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.0069]
_cell_length_b [5.5113]
_cell_length_c [7.4637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHBr]
_chemical_formula_sum '[Cs2 H2 Br2]'
_cell_volume [204.4617]
_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
[
  Cs  Cs0  2  0.2839  0.2500  0.2688  1
  H  H1  2  0.1340  0.7500  0.4364  1
  Br  Br2  2  0.2190  0.2500  0.7708  1
]