data_[K16H16Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2659]
_cell_length_b [5.4475]
_cell_length_c [8.0086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K8H8Pd3]
_chemical_formula_sum '[K16 H16 Pd6]'
_cell_volume [836.3625]
_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
[
  K  K0  4  0.0273  0.0000  0.2731  1
  K  K1  4  0.1100  0.5000  0.9381  1
  K  K2  4  0.1678  0.5000  0.4505  1
  K  K3  4  0.2073  0.0000  0.7934  1
  H  H4  4  0.0190  0.5000  0.3092  1
  H  H5  4  0.1059  0.0000  0.0036  1
  H  H6  4  0.1755  0.0000  0.4067  1
  Pd  Pd7  4  0.1811  0.0000  0.1903  1
  H  H8  4  0.2328  0.5000  0.8206  1
  Pd  Pd9  2  0.0000  0.5000  0.5000  1
]