data_NbCd2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2Pd
_chemical_formula_sum   'Nb1 Cd2 Pd1'
_cell_volume   74.8
_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  Nb2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.47  0.74  0.4  1.0
  Cd  Cd1  1  0.47  0.26  0.4  1.0
  Pd  Pd3  1  0.94  0.0  0.0  1.0

data_NbCd2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   114.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCd2Pd
_chemical_formula_sum   'Nb1 Cd2 Pd1'
_cell_volume   74.8
_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  Nb0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.4  0.47  0.26  1.0
  Cd  Cd2  1  0.4  0.47  0.74  1.0
  Pd  Pd3  1  0.0  0.94  0.0  1.0

Nb Cd Cd Pd
Nb Cd Cd Pd 0 3 - o o 0 1 - - o 0 1 - - - 0 2 o o o 0 2 o o - 1 2 o + o 1 2 o o o 1 3 o + o 1 3 o + + 1 1 o o + 2 3 - o o 2 3 - o + 2 2 o o + 
NbPdCd2 crystallizes in the triclinic P1 space group. Nb(1) is bonded in a single-bond geometry to one Pd(1) and two equivalent Cd(2) atoms. The Nb(1)-Pd(1) bond length is 0.32 Å. There is one shorter (2.61 Å) and one longer (2.89 Å) Nb(1)-Cd(2) bond length. Pd(1) is bonded in a single-bond geometry to one Nb(1) and two equivalent Cd(1) atoms. There is one shorter (2.61 Å) and one longer (2.89 Å) Pd(1)-Cd(1) bond length. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to two equivalent Pd(1), two equivalent Cd(1), and two equivalent Cd(2) atoms. Both Cd(1)-Cd(1) bond lengths are 2.81 Å. There is one shorter (2.54 Å) and one longer (2.86 Å) Cd(1)-Cd(2) bond length. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to two equivalent Nb(1), two equivalent Cd(1), and two equivalent Cd(2) atoms. Both Cd(2)-Cd(2) bond lengths are 2.81 Å.