data_[Cd6Pd26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.0451]
_cell_length_b [8.0231]
_cell_length_c [8.0465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cd3Pd13]
_chemical_formula_sum '[Cd6 Pd26]'
_cell_volume [519.3699]
_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  4  0.2565  0.0000  0.9943  1.0
  Cd  Cd1  2  0.0000  0.0000  0.2626  1.0
  Pd  Pd2  8  0.2515  0.2493  0.2486  1.0
  Pd  Pd3  4  0.0000  0.2465  0.0036  1.0
  Pd  Pd4  4  0.2508  0.0000  0.5027  1.0
  Pd  Pd5  4  0.5000  0.2458  0.4991  1.0
  Pd  Pd6  2  0.0000  0.0000  0.7454  1.0
  Pd  Pd7  2  0.5000  0.0000  0.2537  1.0
  Pd  Pd8  2  0.5000  0.0000  0.7442  1.0
]