data_NiSbRh4
_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   NiSbRh4
_chemical_formula_sum   'Ni1 Sb1 Rh4'
_cell_volume   96.35
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sb  Sb5  1  0.46  0.46  0.46  1.0
  Rh  Rh1  1  0.55  0.55  0.73  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

data_NiSbRh4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NiSbRh4
_chemical_formula_sum   'Ni3 Sb3 Rh12'
_cell_volume   289.05
_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
  Ni  Ni0  3  0.0  0.0  0.0  1.0
  Sb  Sb1  3  0.0  0.0  0.54  1.0
  Rh  Rh2  9  0.06  0.12  0.39  1.0
  Rh  Rh3  3  0.0  0.0  0.27  1.0

Ni Sb Rh Rh Rh Rh
Ni Sb Rh Rh Rh Rh 0 5 - - - 0 5 - - o 0 5 - o - 0 5 o - - 0 4 - - o 0 4 - o - 0 3 - - o 0 3 o - - 0 2 - o - 0 2 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 4 o o o 1 3 o o o 1 2 o o o 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
Rh4NiSb crystallizes in the trigonal R3m space group. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 9-coordinate geometry to three equivalent Rh(1), four equivalent Ni(1), and three equivalent Sb(1) atoms. All Rh(2)-Rh(1) bond lengths are 1.55 Å. There are three shorter (3.06 Å) and one longer (3.46 Å) Rh(2)-Ni(1) bond length. All Rh(2)-Sb(1) bond lengths are 3.08 Å. In the second Rh site, Rh(1) is bonded in a 2-coordinate geometry to one Rh(2), two equivalent Rh(1), two equivalent Ni(1), and one Sb(1) atom. Both Rh(1)-Rh(1) bond lengths are 0.89 Å. Both Rh(1)-Ni(1) bond lengths are 2.84 Å. The Rh(1)-Sb(1) bond length is 1.98 Å. Ni(1) is bonded in a 13-coordinate geometry to four equivalent Rh(2), six equivalent Rh(1), and three equivalent Sb(1) atoms. All Ni(1)-Sb(1) bond lengths are 3.36 Å. Sb(1) is bonded in a 6-coordinate geometry to three equivalent Rh(1), three equivalent Rh(2), and three equivalent Ni(1) atoms.