data_SrHf2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   4.15
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Ti
_chemical_formula_sum   'Sr1 Hf2 Ti1'
_cell_volume   105.31
_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  0.64  0.08  0.97  1.0
  Hf  Hf0  1  0.64  0.08  0.63  1.0
  Hf  Hf1  1  0.0  0.0  0.43  1.0
  Ti  Ti3  1  0.0  0.0  0.32  1.0

data_SrHf2Ti
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.15
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Ti
_chemical_formula_sum   'Sr1 Hf2 Ti1'
_cell_volume   105.31
_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  0.64  0.08  0.97  1.0
  Hf  Hf1  1  0.0  0.0  0.43  1.0
  Hf  Hf2  1  0.64  0.08  0.63  1.0
  Ti  Ti3  1  0.0  0.0  0.32  1.0

Sr Hf Hf Ti