data_Hf2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   7.63
_cell_angle_alpha   101.27
_cell_angle_beta   101.27
_cell_angle_gamma   31.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Pb
_chemical_formula_sum   'Hf4 Pb2'
_cell_volume   139.24
_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  0.47  0.0  0.0  1.0
  Hf  Hf1  1  0.88  0.0  0.98  1.0
  Hf  Hf2  1  0.07  0.0  0.49  1.0
  Hf  Hf3  1  0.82  0.0  0.02  1.0
  Pb  Pb4  1  0.8  0.0  0.66  1.0
  Pb  Pb5  1  0.94  0.0  0.01  1.0

data_Hf2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.97
_cell_length_c   7.63
_cell_angle_alpha   101.27
_cell_angle_beta   90.0
_cell_angle_gamma   105.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Pb
_chemical_formula_sum   'Hf4 Pb2'
_cell_volume   139.24
_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  0.12  0.02  1.0
  Hf  Hf1  1  0.0  0.18  0.98  1.0
  Hf  Hf2  1  0.0  0.53  1.0  1.0
  Hf  Hf3  1  0.0  0.93  0.51  1.0
  Pb  Pb4  1  0.0  0.06  0.99  1.0
  Pb  Pb5  1  0.0  0.2  0.34  1.0

Hf Hf Hf Hf Pb Pb
Hf Hf Hf Hf Pb Pb 0 3 o o o 1 5 o o + 1 3 o o + 1 4 o o o 2 4 - o o 3 4 o o - 4 5 o o + 