data_Li2TaTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   3.82
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TaTi
_chemical_formula_sum   'Li2 Ta1 Ti1'
_cell_volume   70.18
_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  0.43  0.91  0.07  1.0
  Li  Li1  1  0.0  0.0  0.56  1.0
  Ta  Ta2  1  0.43  0.91  0.3  1.0
  Ti  Ti3  1  0.0  0.0  0.73  1.0

data_Li2TaTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.82
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TaTi
_chemical_formula_sum   'Li2 Ta1 Ti1'
_cell_volume   70.18
_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  0.0  0.0  0.56  1.0
  Li  Li1  1  0.43  0.91  0.07  1.0
  Ta  Ta2  1  0.43  0.91  0.3  1.0
  Ti  Ti3  1  0.0  0.0  0.73  1.0

Li Li Ta Ti
Li Li Ta Ti 0 2 o o o 1 3 o o o 