data_HfTi7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84
_cell_length_b   9.84
_cell_length_c   9.84
_cell_angle_alpha   162.62
_cell_angle_beta   35.12
_cell_angle_gamma   149.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi7
_chemical_formula_sum   'Hf1 Ti7'
_cell_volume   143.55
_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  0.49  0.0  0.02  1.0
  Ti  Ti1  1  0.49  0.7  0.0  1.0
  Ti  Ti2  1  0.0  0.0  0.56  1.0
  Ti  Ti3  1  0.0  0.69  0.57  1.0
  Ti  Ti4  1  0.0  0.41  0.88  1.0
  Ti  Ti5  1  0.0  0.01  0.83  1.0
  Ti  Ti6  1  0.0  0.76  0.83  1.0
  Ti  Ti7  1  0.49  0.97  0.31  1.0

data_HfTi7
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.14
_cell_length_c   9.84
_cell_angle_alpha   105.14
_cell_angle_beta   98.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi7
_chemical_formula_sum   'Hf1 Ti7'
_cell_volume   143.55
_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  0.51  0.98  0.5  1.0
  Ti  Ti1  1  0.0  0.44  0.44  1.0
  Ti  Ti2  1  0.01  0.17  0.17  1.0
  Ti  Ti3  1  0.21  0.7  0.21  1.0
  Ti  Ti4  1  0.41  0.54  0.54  1.0
  Ti  Ti5  1  0.48  0.67  0.18  1.0
  Ti  Ti6  1  0.69  0.12  0.12  1.0
  Ti  Ti7  1  0.76  0.93  0.93  1.0

Hf Ti Ti Ti Ti Ti Ti Ti
Hf Ti Ti Ti Ti Ti Ti Ti 0 4 o - - 0 4 + o - 0 2 o - - 0 2 o o o 0 2 + o - 0 2 + + o 0 0 o + + 0 7 o - o 0 1 o - o 1 7 o o o 2 4 o o o 3 5 o + o 3 6 o o o 