data_Zr2CrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   144.62
_cell_angle_beta   132.72
_cell_angle_gamma   60.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrRh
_chemical_formula_sum   'Zr2 Cr1 Rh1'
_cell_volume   70.37
_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  0.45  1.0
  Zr  Zr3  1  0.67  0.0  0.45  1.0
  Cr  Cr0  1  0.0  0.0  0.82  1.0
  Rh  Rh1  1  0.0  0.21  0.31  1.0

data_Zr2CrRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.42
_cell_length_c   5.51
_cell_angle_alpha   113.64
_cell_angle_beta   107.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CrRh
_chemical_formula_sum   'Zr2 Cr1 Rh1'
_cell_volume   70.37
_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  0.22  0.55  0.22  1.0
  Zr  Zr1  1  0.55  0.55  0.55  1.0
  Cr  Cr2  1  0.18  0.18  0.18  1.0
  Rh  Rh3  1  0.69  0.9  0.9  1.0

Zr Zr Cr Rh
Zr Zr Cr Rh 0 3 o o o 0 1 - o o 0 2 o o o 1 2 + o o 2 3 o o + 
Zr2CrRh crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Zr2CrRh cluster. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted single-bond geometry to one Rh(1) atom. The Zr(1)-Rh(1) bond length is 1.86 Å. In the second Zr site, Zr(2) is bonded in a distorted single-bond geometry to one Cr(1) atom. The Zr(2)-Cr(1) bond length is 1.56 Å. Cr(1) is bonded in a 2-coordinate geometry to one Zr(2) and one Rh(1) atom. The Cr(1)-Rh(1) bond length is 1.85 Å. Rh(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Cr(1) atom.