data_TlCdBiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdBiPt
_chemical_formula_sum   'Tl1 Cd1 Bi1 Pt1'
_cell_volume   94.59
_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
  Tl  Tl3  1  0.62  0.62  0.62  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.42  0.42  0.42  1.0
  Pt  Pt2  1  0.81  0.81  0.81  1.0

data_TlCdBiPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   12.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlCdBiPt
_chemical_formula_sum   'Tl3 Cd3 Bi3 Pt3'
_cell_volume   283.78
_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
  Tl  Tl0  3  0.0  0.0  0.38  1.0
  Cd  Cd1  3  0.0  0.0  0.0  1.0
  Bi  Bi2  3  0.0  0.0  0.58  1.0
  Pt  Pt3  3  0.0  0.0  0.19  1.0

Tl Cd Bi Pt
Tl Cd Bi Pt 0 2 o o o 0 3 o o o 0 1 + + o 0 1 + o + 0 1 o + + 1 3 - - - 1 2 - o o 1 2 o - o 1 2 o o - 2 3 - o o 2 3 o - o 2 3 o o - 
PtCdTlBi is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three PtCdTlBi clusters. Pt(1) is bonded in a distorted linear geometry to one Cd(1) and one Tl(1) atom. The Pt(1)-Cd(1) bond length is 2.40 Å. The Pt(1)-Tl(1) bond length is 2.40 Å. Cd(1) is bonded in a distorted single-bond geometry to one Pt(1) atom. Tl(1) is bonded in a distorted linear geometry to one Pt(1) and one Bi(1) atom. The Tl(1)-Bi(1) bond length is 2.40 Å. Bi(1) is bonded in a distorted single-bond geometry to one Tl(1) atom.