data_[Li4H4Br4]
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 [Cm]
_cell_length_a [7.4249]
_cell_length_b [4.3389]
_cell_length_c [9.0563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiHBr]
_chemical_formula_sum '[Li4 H4 Br4]'
_cell_volume [274.0024]
_cell_formula_units_Z [4]
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  2  0.1715  0.0000  0.1190  1.0
  Li  Li1  2  0.2287  0.5000  0.8629  1.0
  H  H2  4  0.0614  0.4133  0.5020  1.0
  Br  Br3  2  0.0422  0.0000  0.8109  1.0
  Br  Br4  2  0.3588  0.5000  0.1732  1.0
]