data_NbFeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   133.4
_cell_angle_beta   133.4
_cell_angle_gamma   68.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeRh2
_chemical_formula_sum   'Nb1 Fe1 Rh2'
_cell_volume   57.93
_cell_formula_units_Z   1
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  Nb1  1  0.9  0.0  1.0  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.0  0.99  1.0
  Rh  Rh3  1  0.0  0.9  1.0  1.0

data_NbFeRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   124.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbFeRh2
_chemical_formula_sum   'Nb2 Fe2 Rh4'
_cell_volume   115.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.91  1.0
  Fe  Fe1  2  0.5  0.5  0.0  1.0
  Rh  Rh2  2  0.0  0.0  0.01  1.0
  Rh  Rh3  2  0.4  0.5  0.91  1.0

Nb Fe Rh Rh
NbFeRh2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbFeRh2 cluster. Nb(1) is bonded in a 2-coordinate geometry to one Fe(1) and one Rh(2) atom. The Nb(1)-Fe(1) bond length is 0.44 Å. The Nb(1)-Rh(2) bond length is 0.51 Å. Fe(1) is bonded in a distorted single-bond geometry to one Nb(1), one Rh(1), and one Rh(2) atom. The Fe(1)-Rh(1) bond length is 0.04 Å. The Fe(1)-Rh(2) bond length is 0.44 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a single-bond geometry to one Fe(1) atom. In the second Rh site, Rh(2) is bonded in a distorted single-bond geometry to one Nb(1) and one Fe(1) atom.