data_SrTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   6.93
_cell_angle_alpha   105.19
_cell_angle_beta   105.19
_cell_angle_gamma   25.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2
_chemical_formula_sum   'Sr2 Ti4'
_cell_volume   152.06
_cell_formula_units_Z   2
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  0.38  0.0  0.47  1.0
  Sr  Sr1  1  0.99  0.0  0.21  1.0
  Ti  Ti2  1  0.65  0.0  0.49  1.0
  Ti  Ti3  1  0.38  0.0  0.68  1.0
  Ti  Ti4  1  1.0  0.0  1.0  1.0
  Ti  Ti5  1  0.72  0.0  0.19  1.0

data_SrTi2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.2
_cell_length_b   6.93
_cell_length_c   7.29
_cell_angle_alpha   105.19
_cell_angle_beta   102.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SrTi2
_chemical_formula_sum   'Sr2 Ti4'
_cell_volume   152.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.13  0.2  1.0
  Ti  Ti1  2  0.0  0.15  0.47  1.0
  Ti  Ti2  2  0.0  0.34  0.19  1.0

Sr Sr Ti Ti Ti Ti