data_HfPb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPb5
_chemical_formula_sum   'Hf1 Pb5'
_cell_volume   169.74
_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  0.0  1.0
  Pb  Pb1  1  0.09  0.0  0.78  1.0
  Pb  Pb2  1  0.93  0.61  0.78  1.0
  Pb  Pb3  1  0.96  0.54  0.78  1.0
  Pb  Pb4  1  0.97  0.71  0.0  1.0
  Pb  Pb5  1  0.0  0.43  0.0  1.0

data_HfPb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.56
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPb5
_chemical_formula_sum   'Hf1 Pb5'
_cell_volume   169.74
_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  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.43  1.0
  Pb  Pb2  1  0.0  0.97  0.71  1.0
  Pb  Pb3  1  0.78  0.09  0.0  1.0
  Pb  Pb4  1  0.78  0.93  0.61  1.0
  Pb  Pb5  1  0.78  0.96  0.54  1.0

Hf Pb Pb Pb Pb Pb