data_TlPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.97
_cell_angle_alpha   100.83
_cell_angle_beta   100.83
_cell_angle_gamma   36.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPt3
_chemical_formula_sum   'Tl1 Pt3'
_cell_volume   69.74
_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  0.2  0.0  0.43  1.0
  Pt  Pt0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.78  0.0  0.17  1.0
  Pt  Pt2  1  0.62  0.0  0.7  1.0

data_TlPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.93
_cell_length_c   4.97
_cell_angle_alpha   100.83
_cell_angle_beta   90.0
_cell_angle_gamma   108.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPt3
_chemical_formula_sum   'Tl1 Pt3'
_cell_volume   69.74
_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  Tl0  1  0.0  0.8  0.57  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.22  0.83  1.0
  Pt  Pt3  1  0.0  0.38  0.3  1.0

Tl Pt Pt Pt
Tl Pt Pt Pt 0 1 o o o 0 2 - o o 0 3 o o o 1 2 - o o 1 3 - o - 2 3 o o - 
TlPt3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TlPt3 cluster. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 2-coordinate geometry to one Pt(2) and one Tl(1) atom. The Pt(1)-Pt(2) bond length is 1.49 Å. The Pt(1)-Tl(1) bond length is 2.20 Å. In the second Pt site, Pt(2) is bonded in a 2-coordinate geometry to one Pt(1) and one Tl(1) atom. The Pt(2)-Tl(1) bond length is 2.24 Å. In the third Pt site, Pt(3) is bonded in a distorted single-bond geometry to one Tl(1) atom. The Pt(3)-Tl(1) bond length is 2.24 Å. Tl(1) is bonded in a 3-coordinate geometry to one Pt(1), one Pt(2), and one Pt(3) atom.