data_HfTl2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   151.5
_cell_angle_beta   136.84
_cell_angle_gamma   52.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl2Ru
_chemical_formula_sum   'Hf1 Tl2 Ru1'
_cell_volume   89.87
_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
  Hf  Hf0  1  0.6  0.0  0.17  1.0
  Tl  Tl2  1  0.6  0.0  0.47  1.0
  Tl  Tl3  1  0.0  0.0  0.71  1.0
  Ru  Ru1  1  0.0  0.0  0.18  1.0

data_HfTl2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.79
_cell_length_c   6.52
_cell_angle_alpha   111.58
_cell_angle_beta   104.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl2Ru
_chemical_formula_sum   'Hf1 Tl2 Ru1'
_cell_volume   89.87
_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
  Hf  Hf0  1  0.43  0.83  0.43  1.0
  Tl  Tl1  1  0.13  0.53  0.13  1.0
  Tl  Tl2  1  0.29  0.29  0.29  1.0
  Ru  Ru3  1  0.82  0.82  0.82  1.0

Hf Tl Tl Ru
HfRuTl2 crystallizes in the triclinic P1 space group. Hf(1) is bonded in a 4-coordinate geometry to two equivalent Ru(1), one Tl(1), and two equivalent Tl(2) atoms. There is one shorter (2.55 Å) and one longer (3.57 Å) Hf(1)-Ru(1) bond length. The Hf(1)-Tl(1) bond length is 1.99 Å. There is one shorter (2.40 Å) and one longer (2.70 Å) Hf(1)-Tl(2) bond length. Ru(1) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Ru(1), two equivalent Tl(1), and two equivalent Tl(2) atoms. Both Ru(1)-Ru(1) bond lengths are 3.21 Å. There is one shorter (2.85 Å) and one longer (3.22 Å) Ru(1)-Tl(1) bond length. There is one shorter (3.05 Å) and one longer (3.47 Å) Ru(1)-Tl(2) bond length. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one Hf(1), two equivalent Ru(1), and one Tl(2) atom. The Tl(1)-Tl(2) bond length is 1.80 Å. In the second Tl site, Tl(2) is bonded in a 4-coordinate geometry to two equivalent Hf(1), two equivalent Ru(1), and one Tl(1) atom.