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 [C2/m]
_cell_length_a [7.4552]
_cell_length_b [4.3286]
_cell_length_c [8.7574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiHBr]
_chemical_formula_sum '[Li4 H4 Br4]'
_cell_volume [268.4487]
_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  4  0.1203  0.5000  0.8687  1.0
  H  H1  4  0.0000  0.4123  0.5000  1.0
  Br  Br2  4  0.2335  0.5000  0.1848  1.0
]