data_Hf2TlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.11
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlRh
_chemical_formula_sum   'Hf2 Tl1 Rh1'
_cell_volume   79.85
_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  0.55  0.55  0.49  1.0
  Hf  Hf1  1  0.55  0.55  0.78  1.0
  Tl  Tl3  1  0.0  0.0  0.13  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_Hf2TlRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2TlRh
_chemical_formula_sum   'Hf4 Tl2 Rh2'
_cell_volume   159.7
_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
  Hf  Hf0  2  0.05  0.5  0.49  1.0
  Hf  Hf1  2  0.05  0.5  0.78  1.0
  Tl  Tl2  2  0.0  0.0  0.13  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

Hf Hf Tl Rh
Hf2RhTl crystallizes in the monoclinic Cm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 9-coordinate geometry to one Hf(2), four equivalent Hf(1), and four equivalent Tl(1) atoms. The Hf(1)-Hf(2) bond length is 2.37 Å. All Hf(1)-Hf(1) bond lengths are 3.11 Å. There are a spread of Hf(1)-Tl(1) bond distances ranging from 3.54-3.82 Å. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to one Hf(1) and four equivalent Rh(1) atoms. There are a spread of Hf(2)-Rh(1) bond distances ranging from 2.69-3.05 Å. Rh(1) is bonded in a single-bond geometry to four equivalent Hf(2) and one Tl(1) atom. The Rh(1)-Tl(1) bond length is 1.11 Å. Tl(1) is bonded in a single-bond geometry to four equivalent Hf(1) and one Rh(1) atom.