data_ReNiRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNiRh4
_chemical_formula_sum   'Re1 Ni1 Rh4'
_cell_volume   89.47
_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
  Re  Re1  1  0.32  0.32  0.32  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.44  0.66  0.44  1.0
  Rh  Rh3  1  0.66  0.44  0.44  1.0
  Rh  Rh4  1  0.66  0.66  0.66  1.0
  Rh  Rh5  1  0.44  0.44  0.66  1.0

data_ReNiRh4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   12.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ReNiRh4
_chemical_formula_sum   'Re3 Ni3 Rh12'
_cell_volume   268.41
_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
  Re  Re0  3  0.0  0.0  0.68  1.0
  Ni  Ni1  3  0.0  0.0  0.0  1.0
  Rh  Rh2  9  0.07  0.15  0.49  1.0
  Rh  Rh3  3  0.0  0.0  0.34  1.0

Re Ni Rh Rh Rh Rh
Re Ni Rh Rh Rh Rh 0 2 o - o 0 2 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 3 - o o 0 3 o o o 0 4 - o o 0 4 o - o 0 4 o o - 0 5 o o - 0 5 o o o 1 3 - - o 1 3 - o - 1 3 - o o 1 2 - - o 1 2 o - - 1 2 o - o 1 4 - - o 1 4 - o - 1 4 o - - 1 5 - o - 1 5 o - - 1 5 o o - 2 5 o o o 2 3 o o o 2 4 o o o 3 5 o o o 3 4 o o o 4 5 o o o 
ReRh4Ni crystallizes in the trigonal R3m space group. Re(1) is bonded to three equivalent Rh(2), six equivalent Rh(1), and three equivalent Ni(1) atoms to form a mixture of distorted edge and corner-sharing ReNi3Rh9 cuboctahedra. All Re(1)-Rh(2) bond lengths are 2.90 Å. There are three shorter (2.40 Å) and three longer (2.88 Å) Re(1)-Rh(1) bond lengths. All Re(1)-Ni(1) bond lengths are 2.90 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 9-coordinate geometry to three equivalent Re(1), three equivalent Rh(1), and three equivalent Ni(1) atoms. All Rh(2)-Rh(1) bond lengths are 1.92 Å. All Rh(2)-Ni(1) bond lengths are 2.90 Å. In the second Rh site, Rh(1) is bonded in a 2-coordinate geometry to two equivalent Re(1), one Rh(2), two equivalent Rh(1), and three equivalent Ni(1) atoms. Both Rh(1)-Rh(1) bond lengths are 1.11 Å. There is one shorter (3.16 Å) and two longer (3.24 Å) Rh(1)-Ni(1) bond lengths. Ni(1) is bonded in a 15-coordinate geometry to three equivalent Re(1), three equivalent Rh(2), and nine equivalent Rh(1) atoms.