data_TlRu2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.94
_cell_angle_alpha   99.82
_cell_angle_beta   99.82
_cell_angle_gamma   34.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRu2Rh
_chemical_formula_sum   'Tl1 Ru2 Rh1'
_cell_volume   64.33
_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  0.18  0.0  0.43  1.0
  Ru  Ru1  1  0.71  0.0  0.8  1.0
  Ru  Ru2  1  0.64  0.0  0.05  1.0
  Rh  Rh0  1  0.0  0.0  0.0  1.0

data_TlRu2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.84
_cell_length_c   4.94
_cell_angle_alpha   99.82
_cell_angle_beta   90.0
_cell_angle_gamma   107.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRu2Rh
_chemical_formula_sum   'Tl1 Ru2 Rh1'
_cell_volume   64.33
_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  0.82  0.57  1.0
  Ru  Ru1  1  0.0  0.29  0.2  1.0
  Ru  Ru2  1  0.0  0.36  0.95  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Tl Ru Ru Rh
Tl Ru Ru Rh 0 3 o o o 1 2 o o + 1 3 + o + 2 3 + o o 
Ru2RhTl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ru2RhTl cluster. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 2-coordinate geometry to one Ru(2) and one Rh(1) atom. The Ru(1)-Ru(2) bond length is 1.35 Å. The Ru(1)-Rh(1) bond length is 1.55 Å. In the second Ru site, Ru(2) is bonded in a 2-coordinate geometry to one Ru(1) and one Rh(1) atom. The Ru(2)-Rh(1) bond length is 1.81 Å. Rh(1) is bonded in a 3-coordinate geometry to one Ru(1), one Ru(2), and one Tl(1) atom. The Rh(1)-Tl(1) bond length is 2.15 Å. Tl(1) is bonded in a distorted single-bond geometry to one Rh(1) atom.