data_NbIr2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   131.86
_cell_angle_beta   131.86
_cell_angle_gamma   70.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIr2Rh
_chemical_formula_sum   'Nb1 Ir2 Rh1'
_cell_volume   60.49
_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  Nb2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.93  1.0
  Ir  Ir1  1  0.0  0.96  0.96  1.0
  Rh  Rh3  1  0.96  0.0  0.96  1.0

data_NbIr2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   4.81
_cell_angle_alpha   114.07
_cell_angle_beta   114.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIr2Rh
_chemical_formula_sum   'Nb1 Ir2 Rh1'
_cell_volume   60.49
_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  Nb0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.96  0.0  1.0
  Ir  Ir2  1  0.93  0.93  0.93  1.0
  Rh  Rh3  1  0.96  0.0  0.0  1.0

Nb Ir Ir Rh
Nb Ir Ir Rh 0 3 - o - 0 2 o - - 0 1 o o - 1 3 - o o 1 2 o - o 
NbIr2Rh is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbIr2Rh cluster. Nb(1) is bonded in an L-shaped geometry to one Ir(1), one Ir(2), and one Rh(1) atom. The Nb(1)-Ir(1) bond length is 0.34 Å. The Nb(1)-Ir(2) bond length is 0.14 Å. The Nb(1)-Rh(1) bond length is 0.14 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 3-coordinate geometry to one Nb(1), one Ir(2), and one Rh(1) atom. The Ir(1)-Ir(2) bond length is 0.32 Å. The Ir(1)-Rh(1) bond length is 0.32 Å. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Nb(1) and one Ir(1) atom. Rh(1) is bonded in a single-bond geometry to one Nb(1) and one Ir(1) atom.