data_CdGaPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaPb2
_chemical_formula_sum   'Cd1 Ga1 Pb2'
_cell_volume   108.77
_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
  Cd  Cd0  1  0.52  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.76  0.25  0.72  1.0
  Pb  Pb3  1  0.76  0.75  0.72  1.0

data_CdGaPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   103.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGaPb2
_chemical_formula_sum   'Cd1 Ga1 Pb2'
_cell_volume   108.77
_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
  Cd  Cd0  1  -0.0  0.52  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.72  0.76  0.25  1.0
  Pb  Pb3  1  0.72  0.76  0.75  1.0

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