data_[Nb4H8Rh4]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.0950]
_cell_length_b [5.9287]
_cell_length_c [5.0857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NbH2Rh]
_chemical_formula_sum '[Nb4 H8 Rh4]'
_cell_volume [145.5792]
_cell_formula_units_Z [4]
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  0.2473  0.6249  0.4942  1
  H  H1  4  0.0201  0.1519  0.7820  1
  H  H2  4  0.4807  0.6053  0.2295  1
  Rh  Rh3  4  0.2584  0.1249  0.4989  1
]