data_Cd2PdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   133.28
_cell_angle_beta   133.28
_cell_angle_gamma   68.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2PdPb
_chemical_formula_sum   'Cd2 Pd1 Pb1'
_cell_volume   86.44
_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  0.18  0.0  0.28  1.0
  Cd  Cd1  1  0.0  0.18  0.28  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.55  1.0

data_Cd2PdPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   124.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2PdPb
_chemical_formula_sum   'Cd4 Pd2 Pb2'
_cell_volume   172.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.31  0.41  0.9  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.45  0.0  0.45  1.0

Cd Cd Pd Pb