data_[Na8Nb4Ni4H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.1567]
_cell_length_b [8.7850]
_cell_length_c [4.8467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3907]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2NbNiH6]
_chemical_formula_sum '[Na8 Nb4 Ni4 H24]'
_cell_volume [432.4453]
_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  0.0632  0.1279  0.7476  1
  Na  Na1  4  0.4368  0.1276  0.7459  1
  Nb  Nb2  4  0.2501  0.5304  0.7433  1
  Ni  Ni3  4  0.2495  0.6285  0.2433  1
  H  H4  4  0.1266  0.1272  0.2416  1
  H  H5  4  0.1299  0.5996  0.0158  1
  H  H6  4  0.1332  0.6182  0.4768  1
  H  H7  4  0.3656  0.6204  0.0095  1
  H  H8  4  0.3695  0.6007  0.4698  1
  H  H9  4  0.3756  0.1254  0.2458  1
]