data_LiTi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   3.02
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   99.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2Cl
_chemical_formula_sum   'Li1 Ti2 Cl1'
_cell_volume   68.06
_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  0.17  0.0  0.37  1.0
  Ti  Ti2  1  0.17  0.51  0.1  1.0
  Ti  Ti3  1  0.6  0.0  0.86  1.0
  Cl  Cl0  1  0.08  0.51  0.96  1.0

data_LiTi2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.99
_cell_length_b   3.02
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   99.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiTi2Cl
_chemical_formula_sum   'Li1 Ti2 Cl1'
_cell_volume   68.06
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.17  0.0  0.37  1.0
  Ti  Ti1  1  0.17  0.5  0.1  1.0
  Ti  Ti2  1  0.6  0.0  0.86  1.0
  Cl  Cl3  1  0.08  0.5  0.96  1.0

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