data_Nb2CdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CdPb
_chemical_formula_sum   'Nb2 Cd1 Pb1'
_cell_volume   80.98
_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  Nb1  1  0.49  0.28  0.49  1.0
  Nb  Nb2  1  0.49  0.72  0.49  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.98  0.0  0.0  1.0

data_Nb2CdPb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.44
_cell_length_b   2.99
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   113.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Nb2CdPb
_chemical_formula_sum   'Nb2 Cd1 Pb1'
_cell_volume   80.98
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Nb0  1  0.49  0.5  0.28  1.0
  Nb  Nb1  1  0.49  0.5  0.72  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.98  0.0  0.0  1.0

Nb Nb Cd Pb
Nb2CdPb crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), and two equivalent Cd(1) atoms. Both Nb(1)-Nb(1) bond lengths are 2.99 Å. There is one shorter (2.41 Å) and one longer (3.04 Å) Nb(1)-Nb(2) bond length. There is one shorter (2.88 Å) and one longer (2.90 Å) Nb(1)-Cd(1) bond length. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), and two equivalent Pb(1) atoms. Both Nb(2)-Nb(2) bond lengths are 2.99 Å. There is one shorter (2.88 Å) and one longer (2.90 Å) Nb(2)-Pb(1) bond length. Cd(1) is bonded in a single-bond geometry to two equivalent Nb(1) and one Pb(1) atom. The Cd(1)-Pb(1) bond length is 0.13 Å. Pb(1) is bonded in a single-bond geometry to two equivalent Nb(2) and one Cd(1) atom.