data_Li2TiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   7.01
_cell_angle_alpha   154.44
_cell_angle_beta   151.58
_cell_angle_gamma   38.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiCl
_chemical_formula_sum   'Li2 Ti1 Cl1'
_cell_volume   70.62
_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  Li1  1  0.0  0.72  0.78  1.0
  Li  Li2  1  0.0  0.0  0.68  1.0
  Ti  Ti3  1  0.0  0.72  0.83  1.0
  Cl  Cl0  1  0.0  0.0  0.55  1.0

data_Li2TiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.44
_cell_length_c   7.01
_cell_angle_alpha   104.21
_cell_angle_beta   102.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiCl
_chemical_formula_sum   'Li2 Ti1 Cl1'
_cell_volume   70.62
_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  0.22  0.94  0.94  1.0
  Li  Li1  1  0.32  0.32  0.32  1.0
  Ti  Ti2  1  0.17  0.89  0.89  1.0
  Cl  Cl3  1  0.45  0.45  0.45  1.0

Li Li Ti Cl
Li Li Ti Cl 0 2 o o o 1 3 o o o 