data_Li3Br2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33
_cell_length_b   7.33
_cell_length_c   7.33
_cell_angle_alpha   53.54
_cell_angle_beta   53.54
_cell_angle_gamma   53.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Br2
_chemical_formula_sum   'Li6 Br4'
_cell_volume   236.41
_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  Li4  1  0.02  0.04  0.83  1.0
  Li  Li5  1  0.72  0.87  0.83  1.0
  Li  Li6  1  0.26  0.09  0.83  1.0
  Li  Li7  1  0.74  0.91  0.96  1.0
  Li  Li8  1  0.28  0.13  0.96  1.0
  Li  Li9  1  0.98  0.96  0.96  1.0
  Br  Br0  1  0.0  0.0  0.53  1.0
  Br  Br1  1  0.0  0.0  0.87  1.0
  Br  Br2  1  0.0  0.0  0.92  1.0
  Br  Br3  1  0.0  0.0  0.26  1.0

data_Li3Br2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   7.33
_cell_angle_alpha   63.23
_cell_angle_beta   63.23
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li3Br2
_chemical_formula_sum   'Li6 Br4'
_cell_volume   236.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.04  0.93  0.5  1.0
  Li  Li1  2  0.09  0.93  0.22  1.0
  Li  Li2  2  0.13  0.07  0.02  1.0
  Br  Br3  2  0.0  0.03  0.47  1.0
  Br  Br4  2  0.0  0.37  0.13  1.0

Li Li Li Li Li Li Br Br Br Br