data_[Li2B4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7008]
_cell_length_b [11.8219]
_cell_length_c [6.1712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(BBr4)2]
_chemical_formula_sum '[Li2 B4 Br16]'
_cell_volume [776.6247]
_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  2  0.0000  0.0000  0.0000  1
  B  B1  4  0.2215  0.0000  0.3955  1
  Br  Br2  8  0.1354  0.1401  0.2630  1
  Br  Br3  4  0.0968  0.5000  0.6955  1
  Br  Br4  4  0.2327  0.0000  0.7206  1
]