data_SrLiTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   5.43
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiTi2
_chemical_formula_sum   'Sr1 Li1 Ti2'
_cell_volume   90.58
_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  Sr1  1  0.0  0.0  0.72  1.0
  Li  Li0  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.53  0.71  0.15  1.0
  Ti  Ti3  1  0.53  0.71  0.29  1.0

data_SrLiTi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.43
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiTi2
_chemical_formula_sum   'Sr1 Li1 Ti2'
_cell_volume   90.58
_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  0.0  0.72  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.53  0.71  0.15  1.0
  Ti  Ti3  1  0.53  0.71  0.29  1.0

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