data_[Na4H12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [9.7540]
_cell_length_b [6.1325]
_cell_length_c [8.4071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaH3Pd5]
_chemical_formula_sum '[Na4 H12 Pd20]'
_cell_volume [422.8888]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.0992  0.0000  0.3185  1
  Pd  Pd1  8  0.1587  0.2251  0.6684  1
  Pd  Pd2  4  0.0000  0.2788  0.0000  1
  Pd  Pd3  4  0.0839  0.5000  0.3435  1
  H  H4  4  0.1274  0.5000  0.7218  1
  H  H5  4  0.1855  0.5000  0.2088  1
  Pd  Pd6  4  0.2460  0.0000  0.0111  1
  H  H7  2  0.0000  0.0000  0.0000  1
  H  H8  2  0.0000  0.0000  0.5000  1
]