data_Sr2LaTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   126.47
_cell_angle_beta   126.47
_cell_angle_gamma   79.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaTi
_chemical_formula_sum   'Sr2 La1 Ti1'
_cell_volume   145.16
_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  Sr1  1  0.0  0.0  0.74  1.0
  Sr  Sr2  1  0.0  0.77  0.37  1.0
  La  La0  1  0.77  0.0  0.37  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

data_Sr2LaTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   6.15
_cell_angle_alpha   116.77
_cell_angle_beta   116.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaTi
_chemical_formula_sum   'Sr2 La1 Ti1'
_cell_volume   145.16
_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  Sr0  1  0.6  0.37  0.6  1.0
  Sr  Sr1  1  0.74  0.74  0.74  1.0
  La  La2  1  0.37  0.6  0.6  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

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