data_[Nb24Al3H18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.4012]
_cell_length_b [8.4012]
_cell_length_c [8.8956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nb8AlH6]
_chemical_formula_sum '[Nb24 Al3 H18]'
_cell_volume [543.7424]
_cell_formula_units_Z [3]
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
[
  Nb  Nb0  18  0.0040  0.3440  0.4433  1.0
  Nb  Nb1  6  0.0000  0.0000  0.3236  1.0
  Al  Al2  3  0.0000  0.0000  0.0000  1.0
  H  H3  18  0.0746  0.8342  0.3998  1.0
]