data_CdNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18
_cell_length_b   8.18
_cell_length_c   8.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi2
_chemical_formula_sum   'Cd8 Ni16'
_cell_volume   387.61
_cell_formula_units_Z   8
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  0.35  0.35  0.35  1.0
  Cd  Cd1  1  0.01  0.01  0.35  1.0
  Cd  Cd2  1  0.01  0.35  0.01  1.0
  Cd  Cd3  1  0.35  0.01  0.01  1.0
  Cd  Cd4  1  0.12  0.12  0.12  1.0
  Cd  Cd5  1  0.46  0.46  0.12  1.0
  Cd  Cd6  1  0.46  0.12  0.46  1.0
  Cd  Cd7  1  0.12  0.46  0.46  1.0
  Ni  Ni8  1  0.45  0.34  0.34  1.0
  Ni  Ni9  1  0.34  0.45  0.34  1.0
  Ni  Ni10  1  0.34  0.34  0.45  1.0
  Ni  Ni11  1  0.45  0.45  0.45  1.0
  Ni  Ni12  1  0.79  0.79  0.48  1.0
  Ni  Ni13  1  0.79  0.48  0.79  1.0
  Ni  Ni14  1  0.48  0.79  0.79  1.0
  Ni  Ni15  1  0.09  0.79  0.79  1.0
  Ni  Ni16  1  0.79  0.09  0.79  1.0
  Ni  Ni17  1  0.79  0.79  0.09  1.0
  Ni  Ni18  1  0.68  0.68  0.98  1.0
  Ni  Ni19  1  0.68  0.98  0.68  1.0
  Ni  Ni20  1  0.98  0.68  0.68  1.0
  Ni  Ni21  1  0.38  0.68  0.68  1.0
  Ni  Ni22  1  0.68  0.38  0.68  1.0
  Ni  Ni23  1  0.68  0.68  0.38  1.0

data_CdNi2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.18
_cell_length_b   8.18
_cell_length_c   20.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdNi2
_chemical_formula_sum   'Cd24 Ni48'
_cell_volume   1162.83
_cell_formula_units_Z   24
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  9  0.11  0.55  0.54  1.0
  Cd  Cd1  9  0.22  0.44  0.32  1.0
  Cd  Cd2  3  0.0  0.0  0.65  1.0
  Cd  Cd3  3  0.0  0.0  0.88  1.0
  Ni  Ni4  9  0.04  0.07  0.62  1.0
  Ni  Ni5  9  0.1  0.2  0.22  1.0
  Ni  Ni6  9  0.1  0.2  0.11  1.0
  Ni  Ni7  9  0.2  0.1  0.42  1.0
  Ni  Ni8  9  0.2  0.1  0.31  1.0
  Ni  Ni9  3  0.0  0.0  0.55  1.0

Cd Cd Cd Cd Cd Cd Cd Cd Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni
Cd Cd Cd Cd Cd Cd Cd Cd Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni 0 10 o o o 0 8 o o o 0 9 o o o 0 5 o o o 0 6 o o o 0 7 o o o 1 4 o o o 1 12 - - o 1 19 - - o 1 20 - - o 2 4 o o o 2 13 - o - 2 18 - o - 2 20 - o - 3 4 o o o 3 14 o - - 3 18 o - - 3 19 o - - 5 9 o o o 5 8 o o o 5 13 o o - 5 14 o o - 5 18 o o - 6 10 o o o 6 8 o o o 6 12 o - o 6 14 o - o 6 19 o - o 7 9 o o o 7 10 o o o 7 12 - o o 7 13 - o o 7 20 - o o 8 10 o o o 8 9 o o o 8 11 o o o 9 10 o o o 9 11 o o o 10 11 o o o 12 23 o o o 12 13 o o o 12 19 o o o 12 14 o o o 12 20 o o o 13 22 o o o 13 18 o o o 13 14 o o o 13 20 o o o 14 21 o o o 14 18 o o o 14 19 o o o 15 20 - o o 15 21 o o o 16 19 o - o 16 22 o o o 17 18 o o - 17 23 o o o 18 20 o o o 18 19 o o o 19 20 o o o 
Ni2Cd crystallizes in the trigonal R3m space group. There are six inequivalent Ni sites. In the first Ni site, Ni(5) is bonded in a 8-coordinate geometry to one Ni(4), two equivalent Ni(3), two equivalent Ni(5), one Cd(4), and two equivalent Cd(2) atoms. The Ni(5)-Ni(4) bond length is 2.13 Å. Both Ni(5)-Ni(3) bond lengths are 2.40 Å. Both Ni(5)-Ni(5) bond lengths are 2.49 Å. The Ni(5)-Cd(4) bond length is 2.70 Å. Both Ni(5)-Cd(2) bond lengths are 2.71 Å. In the second Ni site, Ni(6) is bonded in a 2-coordinate geometry to one Ni(3) and one Ni(4) atom. The Ni(6)-Ni(3) bond length is 2.13 Å. The Ni(6)-Ni(4) bond length is 1.92 Å. In the third Ni site, Ni(1) is bonded in a distorted single-bond geometry to one Ni(2), one Cd(1), and two equivalent Cd(4) atoms. The Ni(1)-Ni(2) bond length is 1.51 Å. The Ni(1)-Cd(1) bond length is 0.72 Å. Both Ni(1)-Cd(4) bond lengths are 1.56 Å. In the fourth Ni site, Ni(2) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms. In the fifth Ni site, Ni(3) is bonded in a 8-coordinate geometry to one Ni(6), two equivalent Ni(3), two equivalent Ni(5), one Cd(2), and two equivalent Cd(4) atoms. Both Ni(3)-Ni(3) bond lengths are 2.49 Å. The Ni(3)-Cd(2) bond length is 2.70 Å. Both Ni(3)-Cd(4) bond lengths are 2.71 Å. In the sixth Ni site, Ni(4) is bonded in a 4-coordinate geometry to one Ni(5), one Ni(6), and two equivalent Ni(4) atoms. Both Ni(4)-Ni(4) bond lengths are 2.49 Å. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one Ni(3), two equivalent Ni(5), and one Cd(3) atom. The Cd(2)-Cd(3) bond length is 1.61 Å. In the third Cd site, Cd(3) is bonded in a trigonal planar geometry to three equivalent Cd(2) atoms. In the fourth Cd site, Cd(4) is bonded in a 2-coordinate geometry to one Ni(5), two equivalent Ni(1), and two equivalent Ni(3) atoms.