data_HfPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   136.39
_cell_angle_beta   136.39
_cell_angle_gamma   63.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPb
_chemical_formula_sum   'Hf2 Pb2'
_cell_volume   94.92
_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  0.0  1.0
  Hf  Hf1  1  0.0  0.18  0.5  1.0
  Pb  Pb2  1  0.0  0.0  0.99  1.0
  Pb  Pb3  1  0.18  0.0  0.5  1.0

data_HfPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   5.87
_cell_angle_alpha   111.81
_cell_angle_beta   111.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPb
_chemical_formula_sum   'Hf2 Pb2'
_cell_volume   94.92
_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  0.0  1.0
  Hf  Hf1  1  0.32  0.5  0.32  1.0
  Pb  Pb2  1  0.5  0.32  0.32  1.0
  Pb  Pb3  1  0.99  0.99  0.99  1.0

Hf Hf Pb Pb