data_LiBr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59
_cell_length_b   8.59
_cell_length_c   8.59
_cell_angle_alpha   154.29
_cell_angle_beta   154.29
_cell_angle_gamma   36.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBr2Cl
_chemical_formula_sum   'Li1 Br2 Cl1'
_cell_volume   119.2
_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  Li3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.91  0.08  1.0
  Br  Br1  1  0.0  0.0  0.16  1.0
  Cl  Cl2  1  0.91  0.0  0.08  1.0

data_LiBr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   8.59
_cell_angle_alpha   102.85
_cell_angle_beta   102.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBr2Cl
_chemical_formula_sum   'Li1 Br2 Cl1'
_cell_volume   119.2
_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  0.0  0.0  1.0
  Br  Br1  1  0.83  0.91  0.83  1.0
  Br  Br2  1  0.84  0.0  0.84  1.0
  Cl  Cl3  1  0.92  0.0  0.83  1.0

Li Br Br Cl