data_Hf4Ti5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26
_cell_length_b   8.26
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4Ti5
_chemical_formula_sum   'Hf8 Ti10'
_cell_volume   349.14
_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  0.95  1.0
  Hf  Hf1  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.46  0.0  0.43  1.0
  Hf  Hf3  1  0.27  0.73  0.43  1.0
  Hf  Hf4  1  0.4  0.43  0.43  1.0
  Hf  Hf5  1  0.81  0.0  0.48  1.0
  Hf  Hf6  1  0.6  0.43  0.48  1.0
  Hf  Hf7  1  0.73  0.73  0.48  1.0
  Ti  Ti8  1  0.76  0.0  0.43  1.0
  Ti  Ti9  1  0.62  0.39  0.43  1.0
  Ti  Ti10  1  0.75  0.77  0.43  1.0
  Ti  Ti11  1  0.5  0.0  0.48  1.0
  Ti  Ti12  1  0.25  0.77  0.48  1.0
  Ti  Ti13  1  0.38  0.39  0.48  1.0
  Ti  Ti14  1  0.0  0.77  0.95  1.0
  Ti  Ti15  1  0.13  0.39  0.0  1.0
  Ti  Ti16  1  0.13  0.39  0.95  1.0
  Ti  Ti17  1  0.0  0.77  0.0  1.0

data_Hf4Ti5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.9
_cell_length_b   8.26
_cell_length_c   8.26
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4Ti5
_chemical_formula_sum   'Hf8 Ti10'
_cell_volume   349.14
_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  0.0  1.0
  Hf  Hf1  1  0.43  0.27  0.73  1.0
  Hf  Hf2  1  0.43  0.4  0.43  1.0
  Hf  Hf3  1  0.43  0.46  0.0  1.0
  Hf  Hf4  1  0.48  0.6  0.43  1.0
  Hf  Hf5  1  0.48  0.73  0.73  1.0
  Hf  Hf6  1  0.48  0.81  0.0  1.0
  Hf  Hf7  1  0.95  0.0  0.0  1.0
  Ti  Ti8  1  0.0  -0.0  0.77  1.0
  Ti  Ti9  1  0.0  0.13  0.39  1.0
  Ti  Ti10  1  0.43  0.62  0.39  1.0
  Ti  Ti11  1  0.43  0.75  0.77  1.0
  Ti  Ti12  1  0.43  0.76  0.0  1.0
  Ti  Ti13  1  0.48  0.25  0.77  1.0
  Ti  Ti14  1  0.48  0.38  0.39  1.0
  Ti  Ti15  1  0.48  0.5  0.0  1.0
  Ti  Ti16  1  0.95  -0.0  0.77  1.0
  Ti  Ti17  1  0.95  0.13  0.39  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti