data_ZrCdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdPb
_chemical_formula_sum   'Zr1 Cd1 Pb1'
_cell_volume   71.86
_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
  Zr  Zr2  1  0.0  0.0  0.17  1.0
  Cd  Cd0  1  1.0  0.92  0.18  1.0
  Pb  Pb1  1  0.53  0.46  0.88  1.0

data_ZrCdPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdPb
_chemical_formula_sum   'Zr1 Cd1 Pb1'
_cell_volume   71.86
_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
  Zr  Zr0  1  0.17  0.0  0.0  1.0
  Cd  Cd1  1  0.18  1.0  0.92  1.0
  Pb  Pb2  1  0.88  0.53  0.46  1.0

Zr Cd Pb
Zr Cd Pb 0 1 - - o 0 2 o o - 0 2 - - - 1 2 + + - 1 2 o o o 1 2 o o - 2 2 o o + 