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 [Pmn2_1]
_cell_length_a [5.6167]
_cell_length_b [4.9721]
_cell_length_c [4.4757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NbHRh3]
_chemical_formula_sum '[Nb2 H2 Rh6]'
_cell_volume [124.9886]
_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  0.3435  0.2951  1.0
  H  H1  2  0.0000  0.9986  0.9958  1.0
  Rh  Rh2  4  0.2447  0.8285  0.2904  1.0
  Rh  Rh3  2  0.0000  0.6613  0.7912  1.0
]