data_Li2LaTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   146.52
_cell_angle_beta   126.55
_cell_angle_gamma   64.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaTi
_chemical_formula_sum   'Li2 La1 Ti1'
_cell_volume   86.16
_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
  Li  Li1  1  0.0  0.0  0.58  1.0
  Li  Li2  1  0.0  0.62  0.61  1.0
  La  La0  1  0.67  0.0  0.45  1.0
  Ti  Ti3  1  0.0  0.0  0.03  1.0

data_Li2LaTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.23
_cell_length_c   5.82
_cell_angle_alpha   116.72
_cell_angle_beta   106.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaTi
_chemical_formula_sum   'Li2 La1 Ti1'
_cell_volume   86.16
_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
  Li  Li0  1  0.39  0.01  0.01  1.0
  Li  Li1  1  0.42  0.42  0.42  1.0
  La  La2  1  0.22  0.55  0.22  1.0
  Ti  Ti3  1  0.97  0.97  0.97  1.0

Li Li La Ti