data_CdNi4Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi4Sb
_chemical_formula_sum   'Cd1 Ni4 Sb1'
_cell_volume   84.57
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.61  0.36  0.61  1.0
  Ni  Ni2  1  0.36  0.61  0.61  1.0
  Ni  Ni3  1  0.36  0.36  0.36  1.0
  Ni  Ni4  1  0.61  0.61  0.36  1.0
  Sb  Sb5  1  0.74  0.74  0.74  1.0

data_CdNi4Sb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   12.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdNi4Sb
_chemical_formula_sum   'Cd3 Ni12 Sb3'
_cell_volume   253.71
_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
  Cd  Cd0  3  0.0  0.0  0.0  1.0
  Ni  Ni1  9  0.17  0.09  0.47  1.0
  Ni  Ni2  3  0.0  0.0  0.64  1.0
  Sb  Sb3  3  0.0  0.0  0.26  1.0

Cd Ni Ni Ni Ni Sb
Cd Ni Ni Ni Ni Sb 0 4 - - o 0 5 - - - 0 5 - - o 0 5 - o - 0 5 o - - 0 1 - o - 0 3 - o o 0 3 o - o 0 3 o o - 0 2 o - - 1 2 o o o 1 4 o o o 1 3 o o o 1 5 o o o 1 5 o - o 2 4 o o o 2 3 o o o 2 5 o o o 2 5 - o o 3 4 o o o 3 5 o o - 3 5 o - o 3 5 - o o 4 5 o o o 4 5 o o - 
Ni4CdSb crystallizes in the trigonal R3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to one Ni(2), two equivalent Ni(1), one Cd(1), and two equivalent Sb(1) atoms. The Ni(1)-Ni(2) bond length is 2.19 Å. Both Ni(1)-Ni(1) bond lengths are 1.27 Å. The Ni(1)-Cd(1) bond length is 2.71 Å. There is one shorter (2.55 Å) and one longer (2.70 Å) Ni(1)-Sb(1) bond length. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Ni(1), three equivalent Cd(1), and three equivalent Sb(1) atoms. All Ni(2)-Cd(1) bond lengths are 2.86 Å. All Ni(2)-Sb(1) bond lengths are 2.92 Å. Cd(1) is bonded in a 10-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), and four equivalent Sb(1) atoms. There are three shorter (2.99 Å) and one longer (3.11 Å) Cd(1)-Sb(1) bond length. Sb(1) is bonded in a 13-coordinate geometry to three equivalent Ni(2), six equivalent Ni(1), and four equivalent Cd(1) atoms.