data_CrFeRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeRh4
_chemical_formula_sum   'Cr1 Fe1 Rh4'
_cell_volume   87.29
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.76  0.76  0.76  1.0
  Rh  Rh2  1  0.64  0.64  0.4  1.0
  Rh  Rh3  1  0.64  0.4  0.64  1.0
  Rh  Rh4  1  0.4  0.64  0.64  1.0
  Rh  Rh5  1  0.4  0.4  0.4  1.0

data_CrFeRh4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   12.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrFeRh4
_chemical_formula_sum   'Cr3 Fe3 Rh12'
_cell_volume   261.86
_cell_formula_units_Z   3
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
  Fe  Fe1  3  0.0  0.0  0.24  1.0
  Rh  Rh2  9  0.16  0.08  0.44  1.0
  Rh  Rh3  3  0.0  0.0  0.6  1.0

Cr Fe Rh Rh Rh Rh
Cr Fe Rh Rh Rh Rh 0 1 - - - 0 1 - - o 0 1 o - - 0 1 - o - 0 2 - - o 0 3 - o - 0 5 - o o 0 5 o - o 0 5 o o - 0 4 o - - 1 4 o o o 1 4 + o o 1 3 o o o 1 3 o + o 1 2 o o o 1 2 o o + 1 5 o o + 1 5 o + o 1 5 + o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
CrFeRh4 crystallizes in the trigonal R3m space group. Cr(1) is bonded in a 10-coordinate geometry to four equivalent Fe(1), three equivalent Rh(1), and three equivalent Rh(2) atoms. There is one shorter (2.92 Å) and three longer (3.09 Å) Cr(1)-Fe(1) bond lengths. All Cr(1)-Rh(1) bond lengths are 2.53 Å. All Cr(1)-Rh(2) bond lengths are 2.99 Å. Fe(1) is bonded in a 13-coordinate geometry to four equivalent Cr(1), three equivalent Rh(2), and six equivalent Rh(1) atoms. All Fe(1)-Rh(2) bond lengths are 2.89 Å. There are three shorter (2.53 Å) and three longer (2.72 Å) Fe(1)-Rh(1) bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 9-coordinate geometry to three equivalent Cr(1), three equivalent Fe(1), and three equivalent Rh(1) atoms. All Rh(2)-Rh(1) bond lengths are 2.09 Å. In the second Rh site, Rh(1) is bonded in a 6-coordinate geometry to one Cr(1), two equivalent Fe(1), one Rh(2), and two equivalent Rh(1) atoms. Both Rh(1)-Rh(1) bond lengths are 1.20 Å.