data_HfPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   104.54
_cell_angle_beta   104.54
_cell_angle_gamma   119.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPb2
_chemical_formula_sum   'Hf2 Pb4'
_cell_volume   165.39
_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  0.54  1.0
  Hf  Hf1  1  0.0  0.0  0.51  1.0
  Pb  Pb2  1  0.04  0.35  0.0  1.0
  Pb  Pb3  1  0.65  0.35  0.03  1.0
  Pb  Pb4  1  0.35  0.35  0.0  1.0
  Pb  Pb5  1  0.35  0.35  0.03  1.0

data_HfPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   104.54
_cell_angle_beta   104.54
_cell_angle_gamma   119.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPb2
_chemical_formula_sum   'Hf2 Pb4'
_cell_volume   165.39
_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  0.51  0.51  0.51  1.0
  Hf  Hf1  1  0.54  0.54  0.54  1.0
  Pb  Pb2  1  0.37  0.68  0.03  1.0
  Pb  Pb3  1  0.65  0.65  0.0  1.0
  Pb  Pb4  1  0.68  0.68  0.03  1.0
  Pb  Pb5  1  0.96  0.65  0.0  1.0

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