data_[Na3Ni2H9Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.8985]
_cell_length_b [4.8985]
_cell_length_c [6.0084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na3Ni2H9Pd]
_chemical_formula_sum '[Na3 Ni2 H9 Pd1]'
_cell_volume [124.8575]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.3310  1.0
  Na  Na1  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  2  0.3333  0.6667  0.8411  1.0
  H  H3  6  0.1763  0.3527  0.6773  1.0
  H  H4  3  0.0000  0.5000  0.0000  1.0
  Pd  Pd5  1  0.0000  0.0000  0.5000  1.0
]