data_LiTaTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   4.74
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   99.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaTi2
_chemical_formula_sum   'Li1 Ta1 Ti2'
_cell_volume   68.84
_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  0.88  0.0  0.74  1.0
  Ta  Ta1  1  0.07  0.37  0.2  1.0
  Ti  Ti2  1  0.69  0.0  0.42  1.0
  Ti  Ti3  1  0.71  0.37  0.36  1.0

data_LiTaTi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.74
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   99.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaTi2
_chemical_formula_sum   'Li1 Ta1 Ti2'
_cell_volume   68.84
_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  0.88  0.0  0.74  1.0
  Ta  Ta1  1  0.07  0.37  0.2  1.0
  Ti  Ti2  1  0.69  0.0  0.42  1.0
  Ti  Ti3  1  0.71  0.37  0.36  1.0

Li Ta Ti Ti