data_Li2BrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BrCl
_chemical_formula_sum   'Li2 Br1 Cl1'
_cell_volume   86.25
_cell_formula_units_Z   1
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  Li2  1  0.83  0.0  0.68  1.0
  Li  Li3  1  0.83  0.0  0.37  1.0
  Br  Br0  1  0.0  0.0  0.52  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Li2BrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.81
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BrCl
_chemical_formula_sum   'Li2 Br1 Cl1'
_cell_volume   86.25
_cell_formula_units_Z   1
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  1  0.0  0.83  0.37  1.0
  Li  Li1  1  0.0  0.83  0.68  1.0
  Br  Br2  1  0.0  0.0  0.52  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Li Li Br Cl