data_Hf3Ti5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   19.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Ti5
_chemical_formula_sum   'Hf3 Ti5'
_cell_volume   154.41
_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
  Hf  Hf0  1  1.0  0.76  0.94  1.0
  Hf  Hf1  1  1.0  0.76  0.16  1.0
  Hf  Hf2  1  0.0  0.0  0.55  1.0
  Ti  Ti3  1  1.0  0.76  0.84  1.0
  Ti  Ti4  1  1.0  0.76  0.26  1.0
  Ti  Ti5  1  0.0  0.0  0.59  1.0
  Ti  Ti6  1  0.0  0.0  0.0  1.0
  Ti  Ti7  1  0.0  0.0  0.51  1.0

data_Hf3Ti5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.06
_cell_length_b   5.29
_cell_length_c   19.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf3Ti5
_chemical_formula_sum   'Hf6 Ti10'
_cell_volume   308.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.55  1.0
  Hf  Hf1  2  0.26  0.5  0.16  1.0
  Hf  Hf2  2  0.26  0.5  0.94  1.0
  Ti  Ti3  2  0.0  0.0  0.0  1.0
  Ti  Ti4  2  0.0  0.0  0.51  1.0
  Ti  Ti5  2  0.0  0.0  0.59  1.0
  Ti  Ti6  2  0.26  0.5  0.26  1.0
  Ti  Ti7  2  0.26  0.5  0.84  1.0

Hf Hf Hf Ti Ti Ti Ti Ti