data_LaTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   7.09
_cell_angle_alpha   103.93
_cell_angle_beta   103.93
_cell_angle_gamma   27.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2
_chemical_formula_sum   'La2 Ti4'
_cell_volume   136.92
_cell_formula_units_Z   2
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  0.87  0.0  0.49  1.0
  La  La1  1  0.06  0.0  0.38  1.0
  Ti  Ti2  1  0.52  0.0  0.59  1.0
  Ti  Ti3  1  0.06  0.0  0.8  1.0
  Ti  Ti4  1  0.87  0.0  0.07  1.0
  Ti  Ti5  1  0.41  0.0  0.28  1.0

data_LaTi2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.14
_cell_length_b   6.54
_cell_length_c   7.09
_cell_angle_alpha   103.93
_cell_angle_beta   90.0
_cell_angle_gamma   103.9
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaTi2
_chemical_formula_sum   'La2 Ti4'
_cell_volume   136.92
_cell_formula_units_Z   2
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
  La  La0  2  0.0  0.09  0.45  1.0
  Ti  Ti1  2  0.0  0.1  0.87  1.0
  Ti  Ti2  2  0.0  0.45  0.35  1.0

La La Ti Ti Ti Ti