data_[Cd6H4Pd18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.7413]
_cell_length_b [5.7413]
_cell_length_c [14.0936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Cd3H2Pd9]
_chemical_formula_sum '[Cd6 H4 Pd18]'
_cell_volume [402.3209]
_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  0.3333  0.6667  0.4159  1
  Cd  Cd1  2  0.0000  0.0000  0.2500  1
  Pd  Pd2  12  0.1652  0.3303  0.5822  1
  Pd  Pd3  6  0.0001  0.5000  0.2500  1
  H  H4  4  0.3333  0.6667  0.6481  1
]