data_Li2Cl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cl3
_chemical_formula_sum   'Li2 Cl3'
_cell_volume   103.29
_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  0.45  0.41  0.07  1.0
  Li  Li4  1  0.0  0.83  0.91  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.45  0.41  0.52  1.0
  Cl  Cl2  1  0.0  0.83  0.46  1.0

data_Li2Cl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Cl3
_chemical_formula_sum   'Li2 Cl3'
_cell_volume   103.29
_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  0.91  1.0
  Li  Li1  1  0.45  0.41  0.07  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.0  0.83  0.46  1.0
  Cl  Cl4  1  0.45  0.41  0.52  1.0

Li Li Cl Cl Cl
Li Li Cl Cl Cl 0 2 o o o 0 1 + o - 0 3 o o o 0 3 o o - 1 2 o + + 1 4 o o + 1 4 o o o 2 4 o - o 2 4 o - - 3 4 o - o 3 4 + o o 