data_SrLi2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   5.26
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Ti
_chemical_formula_sum   'Sr1 Li2 Ti1'
_cell_volume   108.61
_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
  Sr  Sr2  1  0.0  0.63  0.76  1.0
  Li  Li0  1  0.87  0.0  0.76  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.87  0.63  0.0  1.0

data_SrLi2Ti
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   5.26
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLi2Ti
_chemical_formula_sum   'Sr1 Li2 Ti1'
_cell_volume   108.61
_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
  Sr  Sr0  1  -0.0  0.63  0.76  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.87  0.0  0.76  1.0
  Ti  Ti3  1  0.87  0.63  0.0  1.0

Sr Li Li Ti
Sr Li Li Ti 0 3 - o + 1 2 + o + 