data_LiBrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   6.52
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBrCl2
_chemical_formula_sum   'Li1 Br1 Cl2'
_cell_volume   141.66
_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  0.3  1.0
  Br  Br0  1  0.28  0.26  0.68  1.0
  Cl  Cl1  1  0.0  0.0  0.65  1.0
  Cl  Cl2  1  0.28  0.26  0.29  1.0

data_LiBrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   4.77
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBrCl2
_chemical_formula_sum   'Li1 Br1 Cl2'
_cell_volume   141.66
_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  0.7  0.0  1.0
  Br  Br1  1  0.72  0.32  0.74  1.0
  Cl  Cl2  1  0.0  0.35  0.0  1.0
  Cl  Cl3  1  0.72  0.71  0.74  1.0

Li Br Cl Cl
Li Br Cl Cl 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 