data_La2YTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.54
_cell_length_b   11.54
_cell_length_c   11.54
_cell_angle_alpha   17.36
_cell_angle_beta   17.36
_cell_angle_gamma   17.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YTi
_chemical_formula_sum   'La2 Y1 Ti1'
_cell_volume   119.52
_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  0.0  0.02  1.0
  La  La1  1  0.0  0.0  0.88  1.0
  Y  Y3  1  0.0  0.0  0.17  1.0
  Ti  Ti2  1  0.0  0.0  0.08  1.0

data_La2YTi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.04
_cell_length_b   3.48
_cell_length_c   11.54
_cell_angle_alpha   90.0
_cell_angle_beta   100.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2YTi
_chemical_formula_sum   'La4 Y2 Ti2'
_cell_volume   239.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.12  1.0
  La  La1  2  0.0  0.0  0.98  1.0
  Y  Y2  2  0.0  0.0  0.83  1.0
  Ti  Ti3  2  0.0  0.0  0.92  1.0

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