data_NbCd2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2Co
_chemical_formula_sum   'Nb1 Cd2 Co1'
_cell_volume   69.17
_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
  Nb  Nb3  1  0.0  0.0  0.23  1.0
  Cd  Cd0  1  0.0  0.0  0.57  1.0
  Cd  Cd1  1  0.0  0.0  0.9  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_NbCd2Co
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   NbCd2Co
_chemical_formula_sum   'Nb1 Cd2 Co1'
_cell_volume   69.18
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Nb  Nb0  1  0.0  0.0  0.23  1.0
  Cd  Cd1  1  0.0  0.0  0.57  1.0
  Cd  Cd2  1  0.0  0.0  0.9  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Nb Cd Cd Co
NbCoCd2 crystallizes in the tetragonal P4mm space group. Nb(1) is bonded in a distorted single-bond geometry to one Co(1) and one Cd(1) atom. The Nb(1)-Co(1) bond length is 1.98 Å. The Nb(1)-Cd(1) bond length is 2.80 Å. Co(1) is bonded in a distorted single-bond geometry to one Nb(1) and one Cd(2) atom. The Co(1)-Cd(2) bond length is 0.82 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Nb(1), one Cd(2), and four equivalent Cd(1) atoms to form a mixture of edge and corner-sharing CdNbCd5 octahedra. The corner-sharing octahedra are not tilted. The Cd(1)-Cd(2) bond length is 2.87 Å. All Cd(1)-Cd(1) bond lengths are 2.86 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Co(1) and one Cd(1) atom.