data_CrRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRh2
_chemical_formula_sum   'Cr2 Rh4'
_cell_volume   93.58
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.8  0.8  0.8  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.5  0.7  0.7  1.0
  Rh  Rh3  1  0.7  0.5  0.7  1.0
  Rh  Rh4  1  0.7  0.7  0.5  1.0
  Rh  Rh5  1  0.5  0.5  0.5  1.0

data_CrRh2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrRh2
_chemical_formula_sum   'Cr6 Rh12'
_cell_volume   280.75
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Cr  Cr0  3  0.0  0.0  0.0  1.0
  Cr  Cr1  3  0.0  0.0  0.2  1.0
  Rh  Rh2  9  0.13  0.07  0.36  1.0
  Rh  Rh3  3  0.0  0.0  0.5  1.0

Cr Cr Rh Rh Rh Rh
CrRh2 crystallizes in the trigonal R3m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to one Cr(2), three equivalent Rh(1), and three equivalent Rh(2) atoms. The Cr(1)-Cr(2) bond length is 2.47 Å. All Cr(1)-Rh(1) bond lengths are 2.14 Å. All Cr(1)-Rh(2) bond lengths are 2.98 Å. In the second Cr site, Cr(2) is bonded in a distorted trigonal planar geometry to one Cr(1) and three equivalent Rh(1) atoms. All Cr(2)-Rh(1) bond lengths are 2.39 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 4-coordinate geometry to one Cr(1), one Cr(2), one Rh(2), and two equivalent Rh(1) atoms. The Rh(1)-Rh(2) bond length is 1.75 Å. Both Rh(1)-Rh(1) bond lengths are 1.01 Å. In the second Rh site, Rh(2) is bonded in a 6-coordinate geometry to three equivalent Cr(1) and three equivalent Rh(1) atoms.