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 [Cc]
_cell_length_a [5.8812]
_cell_length_b [9.9003]
_cell_length_c [5.4818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NaHPd3]
_chemical_formula_sum '[Na4 H4 Pd12]'
_cell_volume [273.8650]
_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  0.0574  0.0335  0.0470  1.0
  Pd  Pd1  4  0.0622  0.4604  0.5540  1.0
  Pd  Pd2  4  0.3096  0.2801  0.0423  1.0
  Pd  Pd3  4  0.3241  0.2172  0.5636  1.0
  H  H4  4  0.4898  0.1328  0.3879  1.0
]