data_[Na4H4Pd12]
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 [Cm]
_cell_length_a [5.8060]
_cell_length_b [9.3705]
_cell_length_c [5.6667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaHPd3]
_chemical_formula_sum '[Na4 H4 Pd12]'
_cell_volume [272.1267]
_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  2  0.0485  0.0000  0.9072  1.0
  Na  Na1  2  0.0618  0.0000  0.4116  1.0
  H  H2  4  0.1848  0.3398  0.2603  1.0
  Pd  Pd3  4  0.3585  0.2445  0.0719  1.0
  Pd  Pd4  4  0.3782  0.2412  0.5843  1.0
  Pd  Pd5  2  0.0579  0.5000  0.9151  1.0
  Pd  Pd6  2  0.0675  0.5000  0.4184  1.0
]