data_[Na12H4Pd16]
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 [P1]
_cell_length_a [5.6870]
_cell_length_b [8.9993]
_cell_length_c [10.8600]
_cell_angle_alpha [87.7879]
_cell_angle_beta [88.1234]
_cell_angle_gamma [79.1411]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3HPd4]
_chemical_formula_sum '[Na12 H4 Pd16]'
_cell_volume [545.2678]
_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  1  0.1478  0.8036  0.7622  1
  Na  Na1  1  0.1858  0.0025  0.3285  1
  Na  Na2  1  0.2678  0.8136  0.0806  1
  Na  Na3  1  0.3979  0.5136  0.6387  1
  Na  Na4  1  0.5061  0.9793  0.6160  1
  Na  Na5  1  0.5121  0.7147  0.4335  1
  Na  Na6  1  0.6116  0.5453  0.1872  1
  Na  Na7  1  0.6736  0.2579  0.7514  1
  Na  Na8  1  0.7636  0.3251  0.4181  1
  Na  Na9  1  0.9201  0.2386  0.1374  1
  Na  Na10  1  0.9395  0.0453  0.9262  1
  Na  Na11  1  0.9953  0.4714  0.8770  1
  H  H12  1  0.0277  0.2611  0.6072  1
  H  H13  1  0.0978  0.7216  0.3660  1
  Pd  Pd14  1  0.1325  0.5221  0.1219  1
  Pd  Pd15  1  0.1499  0.5191  0.3716  1
  Pd  Pd16  1  0.1991  0.2066  0.7495  1
  Pd  Pd17  1  0.2867  0.2477  0.4876  1
  Pd  Pd18  1  0.3811  0.2495  0.9841  1
  H  H19  1  0.3913  0.4300  0.0384  1
  Pd  Pd20  1  0.3987  0.2710  0.2432  1
  Pd  Pd21  1  0.4746  0.5551  0.9185  1
  Pd  Pd22  1  0.4760  0.9734  0.8845  1
  H  H23  1  0.5421  0.7528  0.8848  1
  Pd  Pd24  1  0.5997  0.0090  0.1287  1
  Pd  Pd25  1  0.6771  0.0301  0.3734  1
  Pd  Pd26  1  0.7037  0.7113  0.7385  1
  Pd  Pd27  1  0.7866  0.7472  0.0044  1
  Pd  Pd28  1  0.8880  0.7764  0.2470  1
  Pd  Pd29  1  0.9431  0.4741  0.6048  1
  Pd  Pd30  1  0.9483  0.7714  0.5139  1
  Pd  Pd31  1  0.9748  0.0595  0.5752  1
]