data_ZrTaRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69
_cell_length_b   8.69
_cell_length_c   8.69
_cell_angle_alpha   20.46
_cell_angle_beta   20.46
_cell_angle_gamma   20.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaRh2
_chemical_formula_sum   'Zr1 Ta1 Rh2'
_cell_volume   70.19
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.0  0.76  1.0
  Rh  Rh0  1  0.0  0.0  0.25  1.0
  Rh  Rh1  1  0.0  0.0  0.27  1.0

data_ZrTaRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   3.09
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   101.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrTaRh2
_chemical_formula_sum   'Zr2 Ta2 Rh4'
_cell_volume   140.39
_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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  0.0  0.0  0.24  1.0
  Rh  Rh2  2  0.0  0.0  0.73  1.0
  Rh  Rh3  2  0.0  0.0  0.75  1.0

Zr Ta Rh Rh
Zr Ta Rh Rh 0 1 o o - 0 3 o o o 0 2 o o o 2 3 o o o 
ZrTaRh2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrTaRh2 clusters. Zr(1) is bonded in a linear geometry to one Ta(1) and one Rh(1) atom. The Zr(1)-Ta(1) bond length is 2.10 Å. The Zr(1)-Rh(1) bond length is 2.18 Å. Ta(1) is bonded in a single-bond geometry to one Zr(1) atom. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a linear geometry to one Zr(1) and one Rh(2) atom. The Rh(1)-Rh(2) bond length is 0.14 Å. In the second Rh site, Rh(2) is bonded in a single-bond geometry to one Rh(1) atom.