data_KTlCdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlCdPt
_chemical_formula_sum   'K1 Tl1 Cd1 Pt1'
_cell_volume   100.59
_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
  Tl  Tl3  1  0.85  0.85  0.85  1.0
  Cd  Cd0  1  0.69  0.69  0.69  1.0
  Pt  Pt2  1  0.54  0.54  0.54  1.0

data_KTlCdPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KTlCdPt
_chemical_formula_sum   'K3 Tl3 Cd3 Pt3'
_cell_volume   301.78
_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
  Tl  Tl1  3  0.0  0.0  0.15  1.0
  Cd  Cd2  3  0.0  0.0  0.31  1.0
  Pt  Pt3  3  0.0  0.0  0.46  1.0

K Tl Cd Pt
K Tl Cd Pt 0 1 - - - 1 2 o o o 2 3 o o o 
KPtCdTl crystallizes in the trigonal R3m space group. K(1) is bonded in a distorted single-bond geometry to three equivalent Cd(1) and one Tl(1) atom. All K(1)-Cd(1) bond lengths are 3.03 Å. The K(1)-Tl(1) bond length is 1.97 Å. Pt(1) is bonded in a distorted single-bond geometry to one Cd(1) and three equivalent Tl(1) atoms. The Pt(1)-Cd(1) bond length is 1.97 Å. All Pt(1)-Tl(1) bond lengths are 3.03 Å. Cd(1) is bonded to three equivalent K(1), one Pt(1), and one Tl(1) atom to form distorted corner-sharing CdK3TlPt trigonal bipyramids. The Cd(1)-Tl(1) bond length is 1.97 Å. Tl(1) is bonded in a 5-coordinate geometry to one K(1), three equivalent Pt(1), and one Cd(1) atom.