data_TlRuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRuCl2
_chemical_formula_sum   'Tl1 Ru1 Cl2'
_cell_volume   96.0
_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  0.71  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.64  0.0  0.68  1.0
  Cl  Cl1  1  0.64  0.0  0.73  1.0

data_TlRuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.52
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRuCl2
_chemical_formula_sum   'Tl1 Ru1 Cl2'
_cell_volume   96.0
_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  0.71  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.64  0.68  1.0
  Cl  Cl3  1  0.0  0.64  0.73  1.0

Tl Ru Cl Cl
Tl Ru Cl Cl 0 2 - o o 0 3 - o o 0 1 o o + 1 1 + + o 1 1 o + o 1 1 + o o 1 3 - o - 1 3 o o - 1 2 - o - 2 3 o o o 
RuTlCl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one RuTlCl2 cluster. Ru(1) is bonded in a 2-coordinate geometry to one Tl(1) and one Cl(2) atom. The Ru(1)-Tl(1) bond length is 2.77 Å. The Ru(1)-Cl(2) bond length is 2.82 Å. Tl(1) is bonded in a 1-coordinate geometry to one Ru(1) and one Cl(2) atom. The Tl(1)-Cl(2) bond length is 1.31 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Cl(2) atom. The Cl(1)-Cl(2) bond length is 0.51 Å. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to one Ru(1), one Tl(1), and one Cl(1) atom.