data_CdPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPd
_chemical_formula_sum   'Cd2 Pd2'
_cell_volume   72.04
_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  0.0  0.72  0.02  1.0
  Cd  Cd1  1  0.49  0.86  0.32  1.0
  Pd  Pd2  1  0.0  0.72  0.55  1.0
  Pd  Pd3  1  0.49  0.86  0.79  1.0

data_CdPd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdPd
_chemical_formula_sum   'Cd2 Pd2'
_cell_volume   72.04
_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  0.25  0.57  0.15  1.0
  Pd  Pd1  2  0.25  0.57  0.62  1.0

Cd Cd Pd Pd
Cd Cd Pd Pd 0 3 - - - 0 3 - o - 0 3 o o - 0 0 + + o 0 0 o + o 0 0 + o o 0 1 - o o 0 1 o o o 1 2 o o o 1 2 + o o 1 2 + + o 1 1 + + o 1 1 o + o 1 1 + o o 2 3 - - o 2 3 - o o 2 3 o o o 2 2 + + o 2 2 o + o 2 2 + o o 3 3 + + o 3 3 o + o 3 3 + o o 