data_SrLa2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   3.99
_cell_length_c   9.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Ti
_chemical_formula_sum   'Sr1 La2 Ti1'
_cell_volume   142.67
_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
  Sr  Sr2  1  0.0  0.0  0.76  1.0
  La  La0  1  0.88  0.99  0.78  1.0
  La  La1  1  0.88  0.99  0.75  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

data_SrLa2Ti
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.76
_cell_length_b   3.99
_cell_length_c   9.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrLa2Ti
_chemical_formula_sum   'Sr1 La2 Ti1'
_cell_volume   142.67
_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
  Sr  Sr0  1  0.0  0.0  0.76  1.0
  La  La1  1  0.88  0.0  0.75  1.0
  La  La2  1  0.88  0.0  0.78  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

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