data_Cd8Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16
_cell_length_b   8.16
_cell_length_c   8.16
_cell_angle_alpha   91.61
_cell_angle_beta   91.61
_cell_angle_gamma   160.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd8Pd
_chemical_formula_sum   'Cd8 Pd1'
_cell_volume   177.11
_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  0.79  0.0  0.0  1.0
  Cd  Cd1  1  0.59  0.0  0.0  1.0
  Cd  Cd2  1  0.0  0.79  0.0  1.0
  Cd  Cd3  1  0.94  0.94  0.0  1.0
  Cd  Cd4  1  0.75  0.25  0.37  1.0
  Cd  Cd5  1  0.0  0.59  0.0  1.0
  Cd  Cd6  1  0.25  0.75  0.37  1.0
  Cd  Cd7  1  0.75  0.75  0.37  1.0
  Pd  Pd8  1  0.0  0.0  0.0  1.0

data_Cd8Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.73
_cell_length_b   16.1
_cell_length_c   8.16
_cell_angle_alpha   90.0
_cell_angle_beta   99.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd8Pd
_chemical_formula_sum   'Cd16 Pd2'
_cell_volume   354.22
_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  0.1  0.1  0.0  1.0
  Cd  Cd1  4  0.21  0.21  0.0  1.0
  Cd  Cd2  4  0.37  0.25  0.37  1.0
  Cd  Cd3  2  0.06  0.0  0.0  1.0
  Cd  Cd4  2  0.11  0.5  0.37  1.0
  Pd  Pd5  2  0.0  0.0  0.0  1.0

Cd Cd Cd Cd Cd Cd Cd Cd Pd
Cd Cd Cd Cd Cd Cd Cd Cd Pd 0 1 o o o 0 3 o - o 0 8 + o o 1 5 o - o 1 5 + o o 2 8 o + o 2 3 - o o 2 5 o o o 3 8 + + o 3 7 + + o 3 7 o o o 4 6 o - o 4 6 + o o 7 8 o o o 7 8 + + o 7 7 + + o 