data_ZrTaRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaRh2
_chemical_formula_sum   'Zr1 Ta1 Rh2'
_cell_volume   67.96
_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  0.75  1.0
  Rh  Rh0  1  0.5  0.5  0.04  1.0
  Rh  Rh1  1  0.5  0.5  0.47  1.0

data_ZrTaRh2
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   ZrTaRh2
_chemical_formula_sum   'Zr1 Ta1 Rh2'
_cell_volume   67.96
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.75  1.0
  Rh  Rh2  1  0.5  0.5  0.04  1.0
  Rh  Rh3  1  0.5  0.5  0.47  1.0

Zr Ta Rh Rh
ZrTaRh2 crystallizes in the monoclinic Cm space group. Zr(1) is bonded to one Ta(1) and four equivalent Rh(1) atoms to form a mixture of edge and corner-sharing ZrTaRh4 square pyramids. The Zr(1)-Ta(1) bond length is 1.84 Å. There are a spread of Zr(1)-Rh(1) bond distances ranging from 2.13-2.17 Å. Ta(1) is bonded in a distorted single-bond geometry to one Zr(1) and four equivalent Rh(2) atoms. There are a spread of Ta(1)-Rh(2) bond distances ranging from 3.01-3.03 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a square co-planar geometry to four equivalent Zr(1) and one Rh(2) atom. The Rh(1)-Rh(2) bond length is 3.22 Å. In the second Rh site, Rh(2) is bonded in a 9-coordinate geometry to four equivalent Ta(1), one Rh(1), and four equivalent Rh(2) atoms. All Rh(2)-Rh(2) bond lengths are 3.01 Å.