data_LaTiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.21
_cell_angle_alpha   110.68
_cell_angle_beta   110.68
_cell_angle_gamma   32.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiCl2
_chemical_formula_sum   'La1 Ti1 Cl2'
_cell_volume   93.24
_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
  La  La2  1  0.55  0.0  0.58  1.0
  Ti  Ti3  1  0.79  0.0  0.3  1.0
  Cl  Cl0  1  0.34  0.0  0.25  1.0
  Cl  Cl1  1  0.65  0.0  0.13  1.0

data_LaTiCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.21
_cell_length_c   5.98
_cell_angle_alpha   110.68
_cell_angle_beta   106.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiCl2
_chemical_formula_sum   'La1 Ti1 Cl2'
_cell_volume   93.24
_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
  La  La0  1  0.0  0.58  0.55  1.0
  Ti  Ti1  1  0.0  0.3  0.79  1.0
  Cl  Cl2  1  0.0  0.13  0.65  1.0
  Cl  Cl3  1  0.0  0.25  0.34  1.0

La Ti Cl Cl