data_Hf3Ti5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   6.1
_cell_angle_alpha   105.66
_cell_angle_beta   105.66
_cell_angle_gamma   55.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Ti5
_chemical_formula_sum   'Hf3 Ti5'
_cell_volume   153.66
_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  0.6  0.99  0.37  1.0
  Hf  Hf1  1  0.08  0.01  0.9  1.0
  Hf  Hf2  1  0.57  0.99  0.44  1.0
  Ti  Ti3  1  0.01  0.0  0.0  1.0
  Ti  Ti4  1  0.87  0.08  0.12  1.0
  Ti  Ti5  1  0.35  0.16  0.68  1.0
  Ti  Ti6  1  0.81  0.16  0.13  1.0
  Ti  Ti7  1  0.3  0.08  0.69  1.0

data_Hf3Ti5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.28
_cell_length_b   5.67
_cell_length_c   6.1
_cell_angle_alpha   105.66
_cell_angle_beta   90.0
_cell_angle_gamma   117.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Ti5
_chemical_formula_sum   'Hf3 Ti5'
_cell_volume   153.66
_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  0.01  0.41  0.63  1.0
  Hf  Hf1  1  0.01  0.45  0.56  1.0
  Hf  Hf2  1  0.99  0.9  0.1  1.0
  Ti  Ti3  1  0.84  0.02  0.87  1.0
  Ti  Ti4  1  0.84  0.48  0.32  1.0
  Ti  Ti5  1  0.92  0.05  0.88  1.0
  Ti  Ti6  1  0.92  0.62  0.31  1.0
  Ti  Ti7  1  1.0  0.98  0.0  1.0

Hf Hf Hf Ti Ti Ti Ti Ti