data_NbZn2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2Rh
_chemical_formula_sum   'Nb1 Zn2 Rh1'
_cell_volume   61.19
_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  0.43  1.0
  Zn  Zn2  1  0.0  0.0  0.64  1.0
  Zn  Zn3  1  0.51  0.51  0.56  1.0
  Rh  Rh1  1  0.51  0.51  0.05  1.0

data_NbZn2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbZn2Rh
_chemical_formula_sum   'Nb2 Zn4 Rh2'
_cell_volume   122.38
_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  0.43  1.0
  Zn  Zn1  2  0.0  0.0  0.64  1.0
  Zn  Zn2  2  0.01  0.5  0.56  1.0
  Rh  Rh3  2  0.01  0.5  0.05  1.0

Nb Zn Zn Rh
Nb Zn Zn Rh 0 1 o o o 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 0 3 o o o 0 3 o - o 0 3 - o o 0 3 - - o 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 1 3 o o + 1 3 o - + 1 3 - o + 1 3 - - + 2 3 o o + 2 3 o o o 3 3 + o o 3 3 o + o 
NbRhZn2 crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a single-bond geometry to four equivalent Rh(1), one Zn(1), and four equivalent Zn(2) atoms. There are a spread of Nb(1)-Rh(1) bond distances ranging from 3.30-3.38 Å. The Nb(1)-Zn(1) bond length is 1.36 Å. There are a spread of Nb(1)-Zn(2) bond distances ranging from 2.25-2.36 Å. Rh(1) is bonded in a 9-coordinate geometry to four equivalent Nb(1), four equivalent Rh(1), and one Zn(2) atom. All Rh(1)-Rh(1) bond lengths are 3.03 Å. The Rh(1)-Zn(2) bond length is 3.25 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Nb(1) and four equivalent Zn(2) atoms. There are a spread of Zn(1)-Zn(2) bond distances ranging from 2.14-2.26 Å. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to four equivalent Nb(1), one Rh(1), and four equivalent Zn(1) atoms.