data_TlPt2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPt2Cl
_chemical_formula_sum   'Tl1 Pt2 Cl1'
_cell_volume   78.53
_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  0.25  1.0
  Pt  Pt1  1  0.74  0.74  0.83  1.0
  Pt  Pt2  1  0.74  0.74  0.67  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TlPt2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlPt2Cl
_chemical_formula_sum   'Tl2 Pt4 Cl2'
_cell_volume   157.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.25  1.0
  Pt  Pt1  2  0.24  0.5  0.67  1.0
  Pt  Pt2  2  0.24  0.5  0.83  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Tl Pt Pt Cl
Tl Pt Pt Cl 0 3 o o o 1 2 o o o 1 3 + + + 
Pt2TlCl crystallizes in the monoclinic Cm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 4-coordinate geometry to one Pt(2) and three equivalent Cl(1) atoms. The Pt(1)-Pt(2) bond length is 1.10 Å. There is one shorter (1.68 Å) and two longer (2.93 Å) Pt(1)-Cl(1) bond lengths. In the second Pt site, Pt(2) is bonded in a distorted bent 150 degrees geometry to one Pt(1) and one Tl(1) atom. The Pt(2)-Tl(1) bond length is 2.99 Å. Tl(1) is bonded in a single-bond geometry to one Pt(2) and one Cl(1) atom. The Tl(1)-Cl(1) bond length is 1.62 Å. Cl(1) is bonded in a distorted bent 120 degrees geometry to three equivalent Pt(1) and one Tl(1) atom.