data_CdPb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPb2Au
_chemical_formula_sum   'Cd1 Pb2 Au1'
_cell_volume   106.48
_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  Cd1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.38  0.0  0.5  1.0
  Pb  Pb3  1  0.38  0.0  0.4  1.0
  Au  Au0  1  0.0  0.0  0.45  1.0

data_CdPb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPb2Au
_chemical_formula_sum   'Cd1 Pb2 Au1'
_cell_volume   106.48
_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  0.0  1.0
  Pb  Pb1  1  0.38  0.0  0.4  1.0
  Pb  Pb2  1  0.38  0.0  0.5  1.0
  Au  Au3  1  0.0  0.0  0.45  1.0

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