data_[Nb2H24N6O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.8020]
_cell_length_b [6.8020]
_cell_length_c [10.3749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [NbH12N3O8]
_chemical_formula_sum '[Nb2 H24 N6 O16]'
_cell_volume [480.0150]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  H  H1  16  0.0425  0.3787  0.1944  1
  H  H2  8  0.0925  0.0925  0.5511  1
  N  N3  4  0.0000  0.5000  0.2500  1
  N  N4  2  0.0000  0.0000  0.5000  1
  O  O5  8  0.1493  0.1493  0.1427  1
  O  O6  8  0.2145  0.2145  0.0117  1
]