data_HfPb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   5.47
_cell_length_c   9.64
_cell_angle_alpha   90.0
_cell_angle_beta   94.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPb5
_chemical_formula_sum   'Hf1 Pb5'
_cell_volume   174.52
_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  0.76  0.73  0.16  1.0
  Pb  Pb2  1  0.65  0.0  0.68  1.0
  Pb  Pb3  1  0.64  0.73  0.81  1.0
  Pb  Pb4  1  0.95  0.0  0.93  1.0
  Pb  Pb5  1  0.84  0.73  0.46  1.0

data_HfPb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.47
_cell_length_c   9.64
_cell_angle_alpha   90.0
_cell_angle_beta   94.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPb5
_chemical_formula_sum   'Hf1 Pb5'
_cell_volume   174.52
_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  0.64  0.73  0.81  1.0
  Pb  Pb2  1  0.65  0.0  0.68  1.0
  Pb  Pb3  1  0.76  0.73  0.16  1.0
  Pb  Pb4  1  0.84  0.73  0.46  1.0
  Pb  Pb5  1  0.95  0.0  0.93  1.0

Hf Pb Pb Pb Pb Pb