data_Hf2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   15.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Ti
_chemical_formula_sum   'Hf4 Ti2'
_cell_volume   124.98
_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
  Hf  Hf0  1  0.0  0.0  0.59  1.0
  Hf  Hf1  1  0.55  0.89  0.21  1.0
  Hf  Hf2  1  0.0  0.79  0.84  1.0
  Hf  Hf3  1  0.0  0.0  0.46  1.0
  Ti  Ti4  1  0.55  0.89  0.91  1.0
  Ti  Ti5  1  0.0  0.79  0.14  1.0

data_Hf2Ti
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   15.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Ti
_chemical_formula_sum   'Hf4 Ti2'
_cell_volume   124.98
_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
  Hf  Hf0  1  -0.0  0.79  0.84  1.0
  Hf  Hf1  1  0.0  0.0  0.46  1.0
  Hf  Hf2  1  0.0  0.0  0.59  1.0
  Hf  Hf3  1  0.55  0.89  0.21  1.0
  Ti  Ti4  1  -0.0  0.79  0.14  1.0
  Ti  Ti5  1  0.55  0.89  0.91  1.0

Hf Hf Hf Hf Ti Ti