data_TlBiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   6.82
_cell_angle_alpha   106.16
_cell_angle_beta   106.16
_cell_angle_gamma   57.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBiPt2
_chemical_formula_sum   'Tl1 Bi1 Pt2'
_cell_volume   91.71
_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  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.52  0.0  0.23  1.0
  Pt  Pt1  1  0.17  0.0  0.86  1.0
  Pt  Pt2  1  0.86  0.0  0.61  1.0

data_TlBiPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.1
_cell_length_c   6.82
_cell_angle_alpha   106.16
_cell_angle_beta   90.0
_cell_angle_gamma   118.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBiPt2
_chemical_formula_sum   'Tl1 Bi1 Pt2'
_cell_volume   91.71
_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  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.48  0.77  1.0
  Pt  Pt2  1  0.0  0.14  0.39  1.0
  Pt  Pt3  1  0.0  0.83  0.14  1.0

Tl Bi Pt Pt
Tl Bi Pt Pt 0 2 o o - 0 1 o o o 1 2 o o - 1 3 o o o 2 3 - o o 
Pt2TlBi crystallizes in the triclinic P1 space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a single-bond geometry to one Pt(2), one Tl(1), and one Bi(1) atom. The Pt(1)-Pt(2) bond length is 1.85 Å. The Pt(1)-Tl(1) bond length is 1.33 Å. The Pt(1)-Bi(1) bond length is 2.54 Å. In the second Pt site, Pt(2) is bonded in a distorted linear geometry to one Pt(1) and one Bi(1) atom. The Pt(2)-Bi(1) bond length is 2.54 Å. Tl(1) is bonded in a distorted single-bond geometry to one Pt(1) and three equivalent Bi(1) atoms. There are a spread of Tl(1)-Bi(1) bond distances ranging from 2.27-3.56 Å. Bi(1) is bonded in a 5-coordinate geometry to one Pt(1), one Pt(2), and three equivalent Tl(1) atoms.