data_KBaNaCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaNaCd
_chemical_formula_sum   'K1 Ba1 Na1 Cd1'
_cell_volume   162.82
_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  0.33  0.33  0.33  1.0
  Ba  Ba0  1  0.17  0.17  0.17  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.5  0.5  0.5  1.0

data_KBaNaCd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   15.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KBaNaCd
_chemical_formula_sum   'K3 Ba3 Na3 Cd3'
_cell_volume   488.47
_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  0.67  1.0
  Ba  Ba1  3  0.0  0.0  0.83  1.0
  Na  Na2  3  0.0  0.0  0.0  1.0
  Cd  Cd3  3  0.0  0.0  0.5  1.0

K Ba Na Cd
K Ba Na Cd 0 1 o o o 0 3 o o o 1 2 o o o 
KNaBaCd crystallizes in the trigonal R3m space group. K(1) is bonded in a 2-coordinate geometry to three equivalent Na(1), one Ba(1), and one Cd(1) atom. All K(1)-Na(1) bond lengths are 3.54 Å. The K(1)-Ba(1) bond length is 2.51 Å. The K(1)-Cd(1) bond length is 2.51 Å. Na(1) is bonded to three equivalent K(1) and one Ba(1) atom to form distorted NaK3Ba trigonal pyramids that share corners with three equivalent Ba(1)KNaCd3 trigonal bipyramids, corners with six equivalent Na(1)K3Ba trigonal pyramids, and edges with three equivalent Cd(1)KBa3 trigonal pyramids. The Na(1)-Ba(1) bond length is 2.51 Å. Ba(1) is bonded to one K(1), one Na(1), and three equivalent Cd(1) atoms to form BaKNaCd3 trigonal bipyramids that share corners with six equivalent Ba(1)KNaCd3 trigonal bipyramids,  a cornercorner with one Cd(1)KBa3 trigonal pyramid, and corners with three equivalent Na(1)K3Ba trigonal pyramids. All Ba(1)-Cd(1) bond lengths are 3.54 Å. Cd(1) is bonded to one K(1) and three equivalent Ba(1) atoms to form distorted CdKBa3 trigonal pyramids that share  a cornercorner with one Ba(1)KNaCd3 trigonal bipyramid, corners with six equivalent Cd(1)KBa3 trigonal pyramids, and edges with three equivalent Na(1)K3Ba trigonal pyramids.