data_[Nb2H2Rh6]
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 [P3m1]
_cell_length_a [5.6671]
_cell_length_b [5.6671]
_cell_length_c [4.5127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [NbHRh3]
_chemical_formula_sum '[Nb2 H2 Rh6]'
_cell_volume [125.5114]
_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  1  0.0000  0.0000  0.5799  1.0
  Nb  Nb1  1  0.6667  0.3333  0.0974  1.0
  H  H2  1  0.0000  0.0000  0.0316  1.0
  H  H3  1  0.3333  0.6667  0.3981  1.0
  Rh  Rh4  3  0.1736  0.8264  0.0934  1.0
  Rh  Rh5  3  0.5023  0.0045  0.5960  1.0
]