data_CdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPb
_chemical_formula_sum   'Cd2 Pb2'
_cell_volume   143.95
_cell_formula_units_Z   2
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  0.59  0.5  0.64  1.0
  Cd  Cd1  1  0.0  0.99  0.55  1.0
  Pb  Pb2  1  0.59  0.5  0.55  1.0
  Pb  Pb3  1  0.0  0.99  0.64  1.0

data_CdPb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdPb
_chemical_formula_sum   'Cd2 Pb2'
_cell_volume   143.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.3  0.25  0.55  1.0
  Pb  Pb1  2  0.3  0.25  0.45  1.0

Cd Cd Pb Pb
Cd Cd Pb Pb 0 2 o o o 1 3 o o o 