data_KNbAlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbAlCd
_chemical_formula_sum   'K1 Nb1 Al1 Cd1'
_cell_volume   93.9
_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  K2  1  0.8  0.8  0.8  1.0
  Nb  Nb3  1  0.41  0.41  0.41  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.61  0.61  0.61  1.0

data_KNbAlCd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KNbAlCd
_chemical_formula_sum   'K3 Nb3 Al3 Cd3'
_cell_volume   281.69
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.2  1.0
  Nb  Nb1  3  0.0  0.0  0.59  1.0
  Al  Al2  3  0.0  0.0  0.0  1.0
  Cd  Cd3  3  0.0  0.0  0.39  1.0

K Nb Al Cd
K Nb Al Cd 0 3 o o o 0 2 + + + 0 2 + + o 0 2 o + + 0 2 + o + 0 1 + o o 0 1 o + o 0 1 o o + 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 1 2 o o + 1 2 o + o 1 2 + o o 2 3 - - o 2 3 - o - 2 3 o - - 
KNbCdAl crystallizes in the trigonal R3m space group. K(1) is bonded in a 2-coordinate geometry to three equivalent Nb(1), one Cd(1), and one Al(1) atom. All K(1)-Nb(1) bond lengths are 3.04 Å. The K(1)-Cd(1) bond length is 2.45 Å. The K(1)-Al(1) bond length is 2.45 Å. Nb(1) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Cd(1) atom. The Nb(1)-Cd(1) bond length is 2.45 Å. Cd(1) is bonded in a 2-coordinate geometry to one K(1) and one Nb(1) atom. Al(1) is bonded in a single-bond geometry to one K(1) atom.