data_[Li2Al4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1894]
_cell_length_b [9.8984]
_cell_length_c [6.4846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(AlBr4)2]
_chemical_formula_sum '[Li2 Al4 Br16]'
_cell_volume [844.2715]
_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  1.0
  Al  Al1  4  0.1866  0.0000  0.6667  1.0
  Br  Br2  8  0.0989  0.1863  0.7849  1.0
  Br  Br3  4  0.1464  0.5000  0.1983  1.0
  Br  Br4  4  0.1851  0.0000  0.3083  1.0
]