data_Hf3Pb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24
_cell_length_b   8.24
_cell_length_c   8.24
_cell_angle_alpha   152.28
_cell_angle_beta   152.28
_cell_angle_gamma   39.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Pb2
_chemical_formula_sum   'Hf3 Pb2'
_cell_volume   120.57
_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  0.0  0.0  0.22  1.0
  Hf  Hf1  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.0  0.0  0.28  1.0
  Pb  Pb3  1  0.0  0.0  0.49  1.0
  Pb  Pb4  1  0.0  0.0  0.01  1.0

data_Hf3Pb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   109.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf3Pb2
_chemical_formula_sum   'Hf6 Pb4'
_cell_volume   241.15
_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  0.0  1.0
  Hf  Hf1  2  0.0  0.0  0.72  1.0
  Hf  Hf2  2  0.0  0.0  0.78  1.0
  Pb  Pb3  2  0.0  0.0  0.51  1.0
  Pb  Pb4  2  0.0  0.0  0.99  1.0

Hf Hf Hf Pb Pb