data_NbCdBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   129.69
_cell_angle_beta   129.69
_cell_angle_gamma   73.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdBi2
_chemical_formula_sum   'Nb1 Cd1 Bi2'
_cell_volume   100.45
_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  0.0  1.0
  Cd  Cd2  1  0.0  0.0  0.46  1.0
  Bi  Bi0  1  0.37  0.0  0.23  1.0
  Bi  Bi1  1  0.0  0.37  0.23  1.0

data_NbCdBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   126.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCdBi2
_chemical_formula_sum   'Nb2 Cd2 Bi4'
_cell_volume   200.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.46  1.0
  Bi  Bi2  4  0.31  0.31  0.86  1.0

Nb Cd Bi Bi
NbCdBi2 crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a water-like geometry to two equivalent Cd(1) and two equivalent Bi(1) atoms. There is one shorter (2.57 Å) and one longer (3.01 Å) Nb(1)-Cd(1) bond length. Both Nb(1)-Bi(1) bond lengths are 1.60 Å. Cd(1) is bonded in a 8-coordinate geometry to two equivalent Nb(1) and six equivalent Bi(1) atoms. There are a spread of Cd(1)-Bi(1) bond distances ranging from 2.86-3.37 Å. Bi(1) is bonded in a distorted single-bond geometry to one Nb(1) and three equivalent Cd(1) atoms.