data_CdPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   9.28
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPd3
_chemical_formula_sum   'Cd4 Pd12'
_cell_volume   263.08
_cell_formula_units_Z   4
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  0.36  0.96  0.43  1.0
  Cd  Cd1  1  0.15  0.32  0.61  1.0
  Cd  Cd2  1  0.87  0.96  0.03  1.0
  Cd  Cd3  1  0.67  0.32  0.21  1.0
  Pd  Pd4  1  0.65  0.32  0.99  1.0
  Pd  Pd5  1  0.28  0.28  0.08  1.0
  Pd  Pd6  1  0.28  0.64  0.08  1.0
  Pd  Pd7  1  0.23  0.64  0.9  1.0
  Pd  Pd8  1  0.23  0.0  0.9  1.0
  Pd  Pd9  1  0.89  0.96  0.17  1.0
  Pd  Pd10  1  0.14  0.32  0.48  1.0
  Pd  Pd11  1  0.8  0.28  0.74  1.0
  Pd  Pd12  1  0.8  0.64  0.74  1.0
  Pd  Pd13  1  0.74  0.64  0.56  1.0
  Pd  Pd14  1  0.74  0.0  0.56  1.0
  Pd  Pd15  1  0.38  0.96  0.65  1.0

data_CdPd3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.03
_cell_length_b   5.64
_cell_length_c   9.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdPd3
_chemical_formula_sum   'Cd4 Pd12'
_cell_volume   263.08
_cell_formula_units_Z   4
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  0.15  0.39  0.68  1.0
  Cd  Cd1  2  0.36  0.21  0.32  1.0
  Pd  Pd2  2  0.14  0.17  0.68  1.0
  Pd  Pd3  2  0.23  0.74  0.36  1.0
  Pd  Pd4  2  0.23  0.74  1.0  1.0
  Pd  Pd5  2  0.28  0.92  0.0  1.0
  Pd  Pd6  2  0.28  0.92  0.64  1.0
  Pd  Pd7  2  0.38  0.35  0.32  1.0

Cd Cd Cd Cd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd