data_Na2LaTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   127.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaTi
_chemical_formula_sum   'Na2 La1 Ti1'
_cell_volume   112.74
_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
  Na  Na1  1  0.51  0.95  0.53  1.0
  Na  Na2  1  0.51  0.05  0.53  1.0
  La  La0  1  0.02  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

data_Na2LaTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   6.05
_cell_length_c   6.8
_cell_angle_alpha   116.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaTi
_chemical_formula_sum   'Na2 La1 Ti1'
_cell_volume   112.74
_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
  Na  Na0  1  0.53  0.05  0.56  1.0
  Na  Na1  1  0.53  0.95  0.46  1.0
  La  La2  1  0.0  0.0  0.02  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

Na Na La Ti