data_CaCdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.99
_cell_angle_alpha   102.27
_cell_angle_beta   102.27
_cell_angle_gamma   38.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdPb2
_chemical_formula_sum   'Ca1 Cd1 Pb2'
_cell_volume   119.88
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.75  0.0  0.92  1.0
  Pb  Pb2  1  0.84  0.0  0.56  1.0
  Pb  Pb3  1  0.65  0.0  0.27  1.0

data_CaCdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   5.74
_cell_length_c   5.99
_cell_angle_alpha   102.27
_cell_angle_beta   90.0
_cell_angle_gamma   109.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdPb2
_chemical_formula_sum   'Ca1 Cd1 Pb2'
_cell_volume   119.88
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.25  0.08  1.0
  Pb  Pb2  1  0.0  0.16  0.44  1.0
  Pb  Pb3  1  0.0  0.35  0.73  1.0

Ca Cd Pb Pb
Ca Cd Pb Pb 0 1 - o - 2 3 o o o 