data_ScNb2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   146.08
_cell_angle_beta   133.3
_cell_angle_gamma   58.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb2Rh
_chemical_formula_sum   'Sc1 Nb2 Rh1'
_cell_volume   70.37
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.63  0.0  0.54  1.0
  Nb  Nb1  1  0.0  0.22  0.33  1.0
  Rh  Rh2  1  0.0  0.0  0.87  1.0

data_ScNb2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.43
_cell_length_c   5.59
_cell_angle_alpha   113.35
_cell_angle_beta   106.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb2Rh
_chemical_formula_sum   'Sc1 Nb2 Rh1'
_cell_volume   70.37
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.54  0.91  1.0
  Nb  Nb2  1  0.78  0.11  0.11  1.0
  Rh  Rh3  1  0.0  0.87  0.87  1.0

Sc Nb Nb Rh
Sc Nb Nb Rh 0 3 o o - 0 2 o o o 1 3 + o o 
ScNb2Rh crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScNb2Rh cluster. Sc(1) is bonded in a distorted single-bond geometry to one Nb(2) and one Rh(1) atom. The Sc(1)-Nb(2) bond length is 1.06 Å. The Sc(1)-Rh(1) bond length is 0.74 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a single-bond geometry to one Rh(1) atom. The Nb(1)-Rh(1) bond length is 1.56 Å. In the second Nb site, Nb(2) is bonded in a single-bond geometry to one Sc(1) atom. Rh(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Nb(1) atom.