data_Hf2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.38
_cell_length_c   9.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Pb
_chemical_formula_sum   'Hf4 Pb2'
_cell_volume   145.55
_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  0.2  1.0
  Hf  Hf1  1  0.7  0.19  0.59  1.0
  Hf  Hf2  1  0.0  0.0  0.15  1.0
  Hf  Hf3  1  0.7  0.19  0.54  1.0
  Pb  Pb4  1  0.0  0.0  0.97  1.0
  Pb  Pb5  1  0.7  0.19  0.77  1.0

data_Hf2Pb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.41
_cell_length_b   4.38
_cell_length_c   9.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Hf2Pb
_chemical_formula_sum   'Hf4 Pb2'
_cell_volume   145.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.35  0.1  0.17  1.0
  Hf  Hf1  2  0.35  0.1  0.22  1.0
  Pb  Pb2  2  0.35  0.1  0.4  1.0

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