data_SrTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25
_cell_length_b   9.25
_cell_length_c   9.25
_cell_angle_alpha   152.0
_cell_angle_beta   152.0
_cell_angle_gamma   40.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2
_chemical_formula_sum   'Sr2 Ti4'
_cell_volume   174.26
_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  0.0  0.24  0.35  1.0
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.24  0.0  0.77  1.0
  Ti  Ti3  1  0.0  0.0  0.27  1.0
  Ti  Ti4  1  0.24  0.0  0.93  1.0
  Ti  Ti5  1  0.0  0.0  0.12  1.0

data_SrTi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   9.25
_cell_angle_alpha   104.0
_cell_angle_beta   104.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2
_chemical_formula_sum   'Sr2 Ti4'
_cell_volume   174.26
_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  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.89  0.24  0.89  1.0
  Ti  Ti2  1  0.07  0.0  0.31  1.0
  Ti  Ti3  1  0.23  0.0  0.47  1.0
  Ti  Ti4  1  0.73  0.0  0.73  1.0
  Ti  Ti5  1  0.88  0.0  0.88  1.0

Sr Sr Ti Ti Ti Ti
Sr Sr Ti Ti Ti Ti 0 5 o o o 0 3 o o o 1 5 o o o 2 4 o o o 3 5 o o o 