data_KCdSn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdSn4
_chemical_formula_sum   'K1 Cd1 Sn4'
_cell_volume   184.05
_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  0.0  0.0  1.0
  Cd  Cd0  1  0.77  0.77  0.77  1.0
  Sn  Sn2  1  0.64  0.64  0.39  1.0
  Sn  Sn3  1  0.64  0.39  0.64  1.0
  Sn  Sn4  1  0.39  0.64  0.64  1.0
  Sn  Sn5  1  0.39  0.39  0.39  1.0

data_KCdSn4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   15.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KCdSn4
_chemical_formula_sum   'K3 Cd3 Sn12'
_cell_volume   552.16
_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  0.0  1.0
  Cd  Cd1  3  0.0  0.0  0.23  1.0
  Sn  Sn2  9  0.17  0.09  0.44  1.0
  Sn  Sn3  3  0.0  0.0  0.61  1.0

K Cd Sn Sn Sn Sn
KCdSn4 crystallizes in the trigonal R3m space group. K(1) is bonded in a 10-coordinate geometry to four equivalent Cd(1), three equivalent Sn(1), and three equivalent Sn(2) atoms. There is one shorter (3.56 Å) and three longer (4.04 Å) K(1)-Cd(1) bond lengths. All K(1)-Sn(1) bond lengths are 3.23 Å. All K(1)-Sn(2) bond lengths are 3.78 Å. Cd(1) is bonded in a 10-coordinate geometry to four equivalent K(1) and six equivalent Sn(1) atoms. There are three shorter (3.31 Å) and three longer (3.49 Å) Cd(1)-Sn(1) bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn(2) is bonded in a 6-coordinate geometry to three equivalent K(1) and three equivalent Sn(1) atoms. All Sn(2)-Sn(1) bond lengths are 2.83 Å. In the second Sn site, Sn(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent Cd(1), one Sn(2), and two equivalent Sn(1) atoms. Both Sn(1)-Sn(1) bond lengths are 1.63 Å.