data_HfZn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   142.3
_cell_angle_beta   131.87
_cell_angle_gamma   62.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2Hg
_chemical_formula_sum   'Hf1 Zn2 Hg1'
_cell_volume   74.07
_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  0.58  1.0
  Zn  Zn2  1  0.0  0.0  0.16  1.0
  Zn  Zn3  1  0.77  0.0  0.18  1.0
  Hg  Hg1  1  0.0  0.23  0.44  1.0

data_HfZn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.47
_cell_length_c   5.48
_cell_angle_alpha   114.07
_cell_angle_beta   108.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2Hg
_chemical_formula_sum   'Hf1 Zn2 Hg1'
_cell_volume   74.07
_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  0.42  0.42  0.42  1.0
  Zn  Zn1  1  0.59  0.82  0.59  1.0
  Zn  Zn2  1  0.84  0.84  0.84  1.0
  Hg  Hg3  1  0.56  0.79  0.79  1.0

Hf Zn Zn Hg
HfHgZn2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfHgZn2 cluster. Hf(1) is bonded in a 2-coordinate geometry to one Hg(1) and one Zn(2) atom. The Hf(1)-Hg(1) bond length is 1.92 Å. The Hf(1)-Zn(2) bond length is 1.66 Å. Hg(1) is bonded in a 2-coordinate geometry to one Hf(1), one Zn(1), and one Zn(2) atom. The Hg(1)-Zn(1) bond length is 0.95 Å. The Hg(1)-Zn(2) bond length is 1.19 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted single-bond geometry to one Hg(1) atom. In the second Zn site, Zn(2) is bonded in a 2-coordinate geometry to one Hf(1) and one Hg(1) atom.