data_NaLa2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.08
_cell_length_b   12.08
_cell_length_c   12.08
_cell_angle_alpha   16.42
_cell_angle_beta   16.42
_cell_angle_gamma   16.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Ti
_chemical_formula_sum   'Na1 La2 Ti1'
_cell_volume   122.77
_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  Na2  1  0.0  0.0  0.0  1.0
  La  La0  1  0.0  0.0  0.24  1.0
  La  La1  1  0.0  0.0  0.49  1.0
  Ti  Ti3  1  0.0  0.0  0.87  1.0

data_NaLa2Ti
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.98
_cell_length_b   3.45
_cell_length_c   12.08
_cell_angle_alpha   90.0
_cell_angle_beta   99.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLa2Ti
_chemical_formula_sum   'Na2 La4 Ti2'
_cell_volume   245.54
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  La  La1  2  0.0  0.0  0.51  1.0
  La  La2  2  0.0  0.0  0.76  1.0
  Ti  Ti3  2  0.0  0.0  0.13  1.0

Na La La Ti