data_CoRh4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRh4Cl
_chemical_formula_sum   'Co1 Rh4 Cl1'
_cell_volume   96.64
_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
  Co  Co1  1  0.46  0.46  0.46  1.0
  Rh  Rh2  1  0.55  0.73  0.55  1.0
  Rh  Rh3  1  0.73  0.55  0.55  1.0
  Rh  Rh4  1  0.73  0.73  0.73  1.0
  Rh  Rh5  1  0.55  0.55  0.73  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CoRh4Cl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoRh4Cl
_chemical_formula_sum   'Co3 Rh12 Cl3'
_cell_volume   289.92
_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
  Co  Co0  3  0.0  0.0  0.54  1.0
  Rh  Rh1  9  0.06  0.12  0.39  1.0
  Rh  Rh2  3  0.0  0.0  0.27  1.0
  Cl  Cl3  3  0.0  0.0  0.0  1.0

Co Rh Rh Rh Rh Cl
Rh4CoCl crystallizes in the trigonal R3m space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 2-coordinate geometry to one Rh(2), two equivalent Rh(1), one Co(1), and two equivalent Cl(1) atoms. The Rh(1)-Rh(2) bond length is 1.61 Å. Both Rh(1)-Rh(1) bond lengths are 0.93 Å. The Rh(1)-Co(1) bond length is 1.95 Å. Both Rh(1)-Cl(1) bond lengths are 2.83 Å. In the second Rh site, Rh(2) is bonded in a 9-coordinate geometry to three equivalent Rh(1), three equivalent Co(1), and three equivalent Cl(1) atoms. All Rh(2)-Co(1) bond lengths are 3.08 Å. All Rh(2)-Cl(1) bond lengths are 3.09 Å. Co(1) is bonded in a 6-coordinate geometry to three equivalent Rh(1) and three equivalent Rh(2) atoms. Cl(1) is bonded in a 9-coordinate geometry to three equivalent Rh(2) and six equivalent Rh(1) atoms.