data_Hf2ZrTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZrTl
_chemical_formula_sum   'Hf2 Zr1 Tl1'
_cell_volume   88.95
_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  0.0  0.23  0.24  1.0
  Hf  Hf1  1  0.23  0.0  0.24  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.23  0.23  0.0  1.0

data_Hf2ZrTl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2ZrTl
_chemical_formula_sum   'Hf4 Zr2 Tl2'
_cell_volume   177.89
_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  4  0.12  0.12  0.24  1.0
  Zr  Zr1  2  0.0  0.0  0.0  1.0
  Tl  Tl2  2  0.23  0.0  0.0  1.0

Hf Hf Zr Tl
Hf2ZrTl is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Hf2ZrTl clusters. Hf(1) is bonded in a 3-coordinate geometry to one Hf(1), one Zr(1), and one Tl(1) atom. The Hf(1)-Hf(1) bond length is 1.45 Å. The Hf(1)-Zr(1) bond length is 1.47 Å. The Hf(1)-Tl(1) bond length is 1.47 Å. Zr(1) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and one Tl(1) atom. The Zr(1)-Tl(1) bond length is 1.45 Å. Tl(1) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and one Zr(1) atom.