data_SrLiTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   6.75
_cell_angle_alpha   148.95
_cell_angle_beta   148.95
_cell_angle_gamma   44.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLiTi
_chemical_formula_sum   'Sr1 Li1 Ti1'
_cell_volume   81.5
_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  0.19  1.0
  Li  Li0  1  0.0  0.0  0.34  1.0
  Ti  Ti2  1  0.0  0.0  0.97  1.0

data_SrLiTi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   112.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrLiTi
_chemical_formula_sum   'Sr2 Li2 Ti2'
_cell_volume   162.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.81  1.0
  Li  Li1  2  0.0  0.0  0.66  1.0
  Ti  Ti2  2  0.0  0.0  0.03  1.0

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