data_Hf2AlHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   136.77
_cell_angle_beta   136.77
_cell_angle_gamma   62.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlHg
_chemical_formula_sum   'Hf2 Al1 Hg1'
_cell_volume   81.44
_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  Hf1  1  0.06  0.0  0.39  1.0
  Hf  Hf2  1  0.0  0.0  0.78  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.06  0.39  1.0

data_Hf2AlHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.6
_cell_angle_alpha   111.61
_cell_angle_beta   111.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlHg
_chemical_formula_sum   'Hf2 Al1 Hg1'
_cell_volume   81.44
_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  0.22  0.0  0.22  1.0
  Hf  Hf1  1  0.61  0.0  0.67  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.67  0.06  0.67  1.0

Hf Hf Al Hg
HfHgHfAl is BCT5 structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfAl cluster and one HfHg cluster. In the HfAl cluster, Hf(2) is bonded in a distorted single-bond geometry to one Al(1) atom. The Hf(2)-Al(1) bond length is 1.22 Å. Al(1) is bonded in a distorted single-bond geometry to one Hf(2) atom. In the HfHg cluster, Hf(1) is bonded in a single-bond geometry to one Hg(1) atom. The Hf(1)-Hg(1) bond length is 0.37 Å. Hg(1) is bonded in a single-bond geometry to one Hf(1) atom.