data_HfTlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   121.11
_cell_angle_beta   121.11
_cell_angle_gamma   88.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlPd2
_chemical_formula_sum   'Hf1 Tl1 Pd2'
_cell_volume   73.6
_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  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.4  1.0
  Pd  Pd1  1  0.33  0.0  0.7  1.0
  Pd  Pd2  1  0.0  0.33  0.7  1.0

data_HfTlPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   134.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTlPd2
_chemical_formula_sum   'Hf2 Tl2 Pd4'
_cell_volume   147.2
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.1  0.5  0.6  1.0
  Pd  Pd2  4  0.46  0.16  0.63  1.0

Hf Tl Pd Pd
HfPd2Tl crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 5-coordinate geometry to four equivalent Pd(1) and one Tl(1) atom. There are two shorter (2.58 Å) and two longer (2.74 Å) Hf(1)-Pd(1) bond lengths. The Hf(1)-Tl(1) bond length is 1.90 Å. Pd(1) is bonded in a distorted single-bond geometry to two equivalent Hf(1) and one Tl(1) atom. The Pd(1)-Tl(1) bond length is 1.46 Å. Tl(1) is bonded in a distorted trigonal non-coplanar geometry to one Hf(1) and two equivalent Pd(1) atoms.