data_[Cd3Ge18Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.7414]
_cell_length_b [11.7414]
_cell_length_c [8.1685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cd(GePd2)6]
_chemical_formula_sum '[Cd3 Ge18 Pd36]'
_cell_volume [975.2457]
_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
  Ge  Ge1  18  0.0464  0.5232  0.2586  1
  Pd  Pd2  18  0.0000  0.3755  0.5000  1
  Pd  Pd3  18  0.0826  0.1652  0.3240  1
]