data_Tl3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   8.77
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Ru
_chemical_formula_sum   'Tl12 Ru4'
_cell_volume   372.88
_cell_formula_units_Z   4
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  Tl4  1  0.16  0.58  0.63  1.0
  Tl  Tl5  1  0.63  0.19  0.44  1.0
  Tl  Tl6  1  0.95  0.58  0.18  1.0
  Tl  Tl7  1  0.41  0.19  0.99  1.0
  Tl  Tl8  1  0.31  0.32  0.54  1.0
  Tl  Tl9  1  0.48  0.45  0.73  1.0
  Tl  Tl10  1  0.09  0.83  0.89  1.0
  Tl  Tl11  1  0.26  0.93  0.08  1.0
  Tl  Tl12  1  0.26  0.45  0.08  1.0
  Tl  Tl13  1  0.09  0.32  0.89  1.0
  Tl  Tl14  1  0.48  0.93  0.73  1.0
  Tl  Tl15  1  0.31  0.83  0.54  1.0
  Ru  Ru0  1  0.57  0.58  0.28  1.0
  Ru  Ru1  1  0.79  0.19  0.47  1.0
  Ru  Ru2  1  0.79  0.58  0.15  1.0
  Ru  Ru3  1  1.0  0.19  0.34  1.0

data_Tl3Ru
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.62
_cell_length_b   7.57
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Tl3Ru
_chemical_formula_sum   'Tl12 Ru4'
_cell_volume   372.88
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.13  0.34  0.81  1.0
  Tl  Tl1  2  0.23  0.02  0.93  1.0
  Tl  Tl2  2  0.23  0.02  0.45  1.0
  Tl  Tl3  2  0.32  0.87  0.19  1.0
  Tl  Tl4  2  0.42  0.19  0.07  1.0
  Tl  Tl5  2  0.42  0.19  0.55  1.0
  Ru  Ru6  2  0.03  0.71  0.81  1.0
  Ru  Ru7  2  0.16  0.5  0.81  1.0

Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Tl Ru Ru Ru Ru
RuTl3 crystallizes in the triclinic P-1 space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 4-coordinate geometry to one Ru(2), one Tl(3), one Tl(4), and one Tl(6) atom. The Ru(1)-Ru(2) bond length is 1.78 Å. The Ru(1)-Tl(3) bond length is 2.82 Å. The Ru(1)-Tl(4) bond length is 2.87 Å. The Ru(1)-Tl(6) bond length is 3.36 Å. In the second Ru site, Ru(2) is bonded in a distorted single-bond geometry to one Ru(1) and one Tl(2) atom. The Ru(2)-Tl(2) bond length is 1.23 Å. There are six inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 7-coordinate geometry to one Tl(2), one Tl(5), one Tl(6), two equivalent Tl(3), and two equivalent Tl(4) atoms. The Tl(1)-Tl(2) bond length is 2.98 Å. The Tl(1)-Tl(5) bond length is 2.74 Å. The Tl(1)-Tl(6) bond length is 2.58 Å. There is one shorter (2.58 Å) and one longer (2.86 Å) Tl(1)-Tl(3) bond length. There is one shorter (2.70 Å) and one longer (2.74 Å) Tl(1)-Tl(4) bond length. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Ru(2) and one Tl(1) atom. In the third Tl site, Tl(3) is bonded in a 2-coordinate geometry to one Ru(1), one Tl(4), and two equivalent Tl(1) atoms. The Tl(3)-Tl(4) bond length is 2.04 Å. In the fourth Tl site, Tl(4) is bonded in a 2-coordinate geometry to one Ru(1), one Tl(3), and two equivalent Tl(1) atoms. In the fifth Tl site, Tl(5) is bonded in a 1-coordinate geometry to one Tl(1) and two equivalent Tl(6) atoms. There is one shorter (1.87 Å) and one longer (2.53 Å) Tl(5)-Tl(6) bond length. In the sixth Tl site, Tl(6) is bonded in a 5-coordinate geometry to one Ru(1), one Tl(1), one Tl(6), and two equivalent Tl(5) atoms. The Tl(6)-Tl(6) bond length is 2.76 Å.