data_[Nb32Ge8H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.8336]
_cell_length_b [12.2208]
_cell_length_c [5.9710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Nb4GeH2]
_chemical_formula_sum '[Nb32 Ge8 H16]'
_cell_volume [790.5262]
_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
[
  Nb  Nb0  16  0.0824  0.3953  0.1522  1
  Nb  Nb1  16  0.0985  0.3065  0.6085  1
  Ge  Ge2  8  0.0000  0.0000  0.0220  1
  H  H3  16  0.0868  0.1477  0.6036  1
]