data_HfZnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   9.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnPb2
_chemical_formula_sum   'Hf1 Zn1 Pb2'
_cell_volume   100.87
_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  0.89  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.61  0.61  0.27  1.0
  Pb  Pb2  1  0.61  0.61  0.51  1.0

data_HfZnPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   9.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfZnPb2
_chemical_formula_sum   'Hf2 Zn2 Pb4'
_cell_volume   201.74
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.89  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.11  0.5  0.27  1.0
  Pb  Pb3  2  0.11  0.5  0.51  1.0

Hf Zn Pb Pb
Hf Zn Pb Pb 0 1 o o + 2 3 o o o 