data_[Nb8H8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.9046]
_cell_length_b [4.9157]
_cell_length_c [6.9654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [NbH]
_chemical_formula_sum '[Nb8 H8]'
_cell_volume [167.9342]
_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  4  0.2424  0.5088  0.7529  1.0
  Nb  Nb1  4  0.2459  0.9903  0.5006  1.0
  H  H2  4  0.1289  0.3756  0.5045  1.0
  H  H3  4  0.1316  0.8735  0.2496  1.0
]