data_YNbRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbRh4
_chemical_formula_sum   'Y1 Nb1 Rh4'
_cell_volume   101.66
_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
  Y  Y5  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.85  0.85  0.85  1.0
  Rh  Rh1  1  0.78  0.78  0.63  1.0
  Rh  Rh2  1  0.78  0.63  0.78  1.0
  Rh  Rh3  1  0.63  0.78  0.78  1.0
  Rh  Rh4  1  0.63  0.63  0.63  1.0

data_YNbRh4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   12.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YNbRh4
_chemical_formula_sum   'Y3 Nb3 Rh12'
_cell_volume   304.99
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Y  Y0  3  0.0  0.0  0.0  1.0
  Nb  Nb1  3  0.0  0.0  0.15  1.0
  Rh  Rh2  9  0.1  0.05  0.27  1.0
  Rh  Rh3  3  0.0  0.0  0.37  1.0

Y Nb Rh Rh Rh Rh
YNbRh4 crystallizes in the trigonal R3m space group. Y(1) is bonded to one Nb(1), three equivalent Rh(1), and three equivalent Rh(2) atoms to form distorted corner-sharing YNbRh6 tetrahedra. The Y(1)-Nb(1) bond length is 1.90 Å. All Y(1)-Rh(1) bond lengths are 2.70 Å. All Y(1)-Rh(2) bond lengths are 3.06 Å. Nb(1) is bonded in a 4-coordinate geometry to one Y(1), three equivalent Rh(1), and three equivalent Rh(2) atoms. All Nb(1)-Rh(1) bond lengths are 1.65 Å. All Nb(1)-Rh(2) bond lengths are 3.35 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Nb(1), and three equivalent Rh(1) atoms. All Rh(2)-Rh(1) bond lengths are 1.32 Å. In the second Rh site, Rh(1) is bonded in a 5-coordinate geometry to one Y(1), one Nb(1), one Rh(2), and two equivalent Rh(1) atoms. Both Rh(1)-Rh(1) bond lengths are 0.76 Å.