data_[Li3Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3706]
_cell_length_b [7.3706]
_cell_length_c [5.0402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [LiBr2]
_chemical_formula_sum '[Li3 Br6]'
_cell_volume [237.1260]
_cell_formula_units_Z [3]
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  0.3333  0.6667  0.0000  1
  Li  Li1  1  0.0000  0.0000  0.5000  1
  Br  Br2  3  0.0000  0.3106  0.0000  1
  Br  Br3  3  0.0000  0.6568  0.5000  1
]