data_HfZnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   3.3
_cell_angle_alpha   101.38
_cell_angle_beta   101.38
_cell_angle_gamma   113.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnPb2
_chemical_formula_sum   'Hf1 Zn1 Pb2'
_cell_volume   97.25
_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  0.21  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.01  0.54  0.54  1.0
  Pb  Pb2  1  0.01  0.46  0.54  1.0

data_HfZnPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   113.91
_cell_angle_beta   101.38
_cell_angle_gamma   101.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnPb2
_chemical_formula_sum   'Hf1 Zn1 Pb2'
_cell_volume   97.25
_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  0.21  0.0  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.54  0.01  0.46  1.0
  Pb  Pb3  1  0.54  0.01  0.54  1.0

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