data_Zr2CuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   143.29
_cell_angle_beta   133.66
_cell_angle_gamma   60.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CuRh
_chemical_formula_sum   'Zr2 Cu1 Rh1'
_cell_volume   72.03
_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  Zr2  1  0.0  0.0  0.4  1.0
  Zr  Zr3  1  0.74  0.0  0.38  1.0
  Cu  Cu0  1  0.0  0.0  0.92  1.0
  Rh  Rh1  1  0.0  0.17  0.38  1.0

data_Zr2CuRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.34
_cell_length_c   5.52
_cell_angle_alpha   113.17
_cell_angle_beta   108.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CuRh
_chemical_formula_sum   'Zr2 Cu1 Rh1'
_cell_volume   72.03
_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  Zr0  1  0.36  0.62  0.36  1.0
  Zr  Zr1  1  0.6  0.6  0.6  1.0
  Cu  Cu2  1  0.08  0.08  0.08  1.0
  Rh  Rh3  1  0.62  0.79  0.79  1.0

Zr Zr Cu Rh
Zr2RhCu crystallizes in the triclinic P1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted single-bond geometry to one Zr(2) and one Rh(1) atom. The Zr(1)-Zr(2) bond length is 1.38 Å. The Zr(1)-Rh(1) bond length is 1.01 Å. In the second Zr site, Zr(2) is bonded in a 3-coordinate geometry to one Zr(1) and two equivalent Cu(1) atoms. There is one shorter (2.24 Å) and one longer (2.96 Å) Zr(2)-Cu(1) bond length. Rh(1) is bonded in a distorted single-bond geometry to one Zr(1) and two equivalent Cu(1) atoms. There is one shorter (1.89 Å) and one longer (2.82 Å) Rh(1)-Cu(1) bond length. Cu(1) is bonded in a 4-coordinate geometry to two equivalent Zr(2) and two equivalent Rh(1) atoms.