data_CdPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.8
_cell_length_b   12.8
_cell_length_c   12.8
_cell_angle_alpha   161.96
_cell_angle_beta   161.96
_cell_angle_gamma   25.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPd2
_chemical_formula_sum   'Cd4 Pd8'
_cell_volume   200.83
_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  0.0  0.01  0.24  1.0
  Cd  Cd1  1  0.0  0.01  0.23  1.0
  Cd  Cd2  1  0.0  0.0  0.96  1.0
  Cd  Cd3  1  0.0  0.0  1.0  1.0
  Pd  Pd4  1  0.01  0.0  0.47  1.0
  Pd  Pd5  1  0.01  0.0  0.0  1.0
  Pd  Pd6  1  0.0  0.0  0.71  1.0
  Pd  Pd7  1  0.0  0.0  0.24  1.0
  Pd  Pd8  1  0.01  0.0  0.32  1.0
  Pd  Pd9  1  0.01  0.0  0.15  1.0
  Pd  Pd10  1  0.0  0.0  0.56  1.0
  Pd  Pd11  1  0.0  0.0  0.39  1.0

data_CdPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   12.8
_cell_angle_alpha   90.0
_cell_angle_beta   102.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdPd2
_chemical_formula_sum   'Cd8 Pd16'
_cell_volume   401.65
_cell_formula_units_Z   8
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  2  0.0  0.0  0.76  1.0
  Cd  Cd1  2  0.0  0.0  0.77  1.0
  Cd  Cd2  2  0.5  0.5  0.0  1.0
  Cd  Cd3  2  0.5  0.5  0.04  1.0
  Pd  Pd4  2  0.0  0.0  0.0  1.0
  Pd  Pd5  2  0.0  0.0  0.53  1.0
  Pd  Pd6  2  0.0  0.0  0.68  1.0
  Pd  Pd7  2  0.0  0.0  0.85  1.0
  Pd  Pd8  2  0.5  0.5  0.29  1.0
  Pd  Pd9  2  0.5  0.5  0.44  1.0
  Pd  Pd10  2  0.5  0.5  0.61  1.0
  Pd  Pd11  2  0.5  0.5  0.76  1.0

Cd Cd Cd Cd Pd Pd Pd Pd Pd Pd Pd Pd
Cd Cd Cd Cd Pd Pd Pd Pd Pd Pd Pd Pd 0 7 o o o 0 1 o o o 0 8 o o o 0 9 o o o 1 8 o o o 1 9 o o o 2 5 o o + 2 3 o o o 3 5 o o + 4 11 o o o 4 10 o o o 6 10 o o o 7 8 o o o 7 9 o o o 8 11 o o o 