data_HfPb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   4.25
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPb2Au
_chemical_formula_sum   'Hf1 Pb2 Au1'
_cell_volume   94.73
_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  Hf1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.73  0.12  0.64  1.0
  Pb  Pb3  1  0.73  0.12  0.82  1.0
  Au  Au0  1  0.0  0.0  0.23  1.0

data_HfPb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.25
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPb2Au
_chemical_formula_sum   'Hf1 Pb2 Au1'
_cell_volume   94.73
_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  0.73  0.12  0.64  1.0
  Pb  Pb2  1  0.73  0.12  0.82  1.0
  Au  Au3  1  0.0  0.0  0.23  1.0

Hf Pb Pb Au