data_[Cd3Sn18Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.1100]
_cell_length_b [12.1100]
_cell_length_c [8.2769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd(SnPd2)6]
_chemical_formula_sum '[Cd3 Sn18 Pd36]'
_cell_volume [1051.1928]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Sn  Sn1  18  0.0460  0.2136  0.7379  1.0
  Pd  Pd2  18  0.0351  0.2378  0.0710  1.0
  Pd  Pd3  18  0.0608  0.2368  0.4173  1.0
]