data_[Li2H2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1927]
_cell_length_b [4.2373]
_cell_length_c [7.1529]
_cell_angle_alpha [89.3628]
_cell_angle_beta [89.6040]
_cell_angle_gamma [61.5582]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiHBr]
_chemical_formula_sum '[Li2 H2 Br2]'
_cell_volume [111.7314]
_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
[
  Li  Li0  1  0.2208  0.9603  0.6675  1.0
  Li  Li1  1  0.8803  0.6039  0.1672  1.0
  H  H2  1  0.5466  0.2555  0.4979  1.0
  H  H3  1  0.5491  0.2869  0.6012  1.0
  Br  Br4  1  0.2155  0.9428  0.2839  1.0
  Br  Br5  1  0.8834  0.6117  0.8123  1.0
]