data_[Na8Ni8H24]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3176]
_cell_length_b [8.6714]
_cell_length_c [4.6174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaNiH3]
_chemical_formula_sum '[Na8 Ni8 H24]'
_cell_volume [372.3552]
_cell_formula_units_Z [8]
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  8  0.1931  0.3764  0.2596  1.0
  Ni  Ni1  4  0.0000  0.0704  0.2500  1.0
  Ni  Ni2  4  0.0000  0.2295  0.7500  1.0
  H  H3  8  0.0672  0.2079  0.4405  1.0
  H  H4  8  0.0870  0.0844  0.9287  1.0
  H  H5  8  0.1239  0.3540  0.7875  1.0
]