data_CdCuPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuPb2
_chemical_formula_sum   'Cd1 Cu1 Pb2'
_cell_volume   100.03
_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  0.0  0.42  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.31  0.0  0.83  1.0
  Pb  Pb3  1  0.31  0.0  0.02  1.0

data_CdCuPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuPb2
_chemical_formula_sum   'Cd1 Cu1 Pb2'
_cell_volume   100.03
_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  0.0  0.42  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.31  0.0  0.02  1.0
  Pb  Pb3  1  0.31  0.0  0.83  1.0

Cd Cu Pb Pb
Cd Cu Pb Pb 0 0 o + o 0 0 + o o 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o - 2 3 o o + 