data_K2NbCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   7.32
_cell_angle_alpha   153.63
_cell_angle_beta   136.84
_cell_angle_gamma   51.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NbCd
_chemical_formula_sum   'K2 Nb1 Cd1'
_cell_volume   118.75
_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
  K  K1  1  0.0  0.69  0.82  1.0
  K  K2  1  0.67  0.0  0.78  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.6  1.0

data_K2NbCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   5.39
_cell_length_c   7.32
_cell_angle_alpha   111.58
_cell_angle_beta   103.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NbCd
_chemical_formula_sum   'K2 Nb1 Cd1'
_cell_volume   118.75
_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
  K  K0  1  0.0  0.78  0.11  1.0
  K  K1  1  0.31  0.13  0.13  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.0  0.6  0.6  1.0

K K Nb Cd
K K Nb Cd 0 2 o + + 0 3 o o o 0 3 o + + 0 3 o + o 1 2 + o + 1 3 + o o 2 3 o + o 2 3 o o - 3 3 o + + 
K2NbCd crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a single-bond geometry to one Nb(1) and two equivalent Cd(1) atoms. The K(1)-Nb(1) bond length is 1.22 Å. There is one shorter (3.70 Å) and one longer (3.83 Å) K(1)-Cd(1) bond length. In the second K site, K(2) is bonded in a single-bond geometry to one Nb(1) and two equivalent Cd(1) atoms. The K(2)-Nb(1) bond length is 1.66 Å. There is one shorter (3.49 Å) and one longer (4.05 Å) K(2)-Cd(1) bond length. Nb(1) is bonded in a distorted L-shaped geometry to one K(1), one K(2), and one Cd(1) atom. The Nb(1)-Cd(1) bond length is 2.92 Å. Cd(1) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent K(2), one Nb(1), and two equivalent Cd(1) atoms. Both Cd(1)-Cd(1) bond lengths are 3.34 Å.