data_La2YTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   3.43
_cell_angle_alpha   103.46
_cell_angle_beta   103.46
_cell_angle_gamma   119.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YTi
_chemical_formula_sum   'La2 Y1 Ti1'
_cell_volume   118.34
_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  0.89  0.11  0.52  1.0
  La  La1  1  0.89  0.89  0.52  1.0
  Y  Y3  1  0.37  0.0  0.0  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0

data_La2YTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.98
_cell_length_c   6.68
_cell_angle_alpha   115.68
_cell_angle_beta   103.46
_cell_angle_gamma   93.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YTi
_chemical_formula_sum   'La2 Y1 Ti1'
_cell_volume   118.34
_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  0.41  0.89  0.78  1.0
  La  La1  1  0.63  0.11  0.0  1.0
  Y  Y2  1  0.0  0.0  0.37  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

La La Y Ti
La La Y Ti 0 1 o - o 1 3 + + + 1 2 + + + 2 3 o o o 