data_SrHfHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   138.22
_cell_angle_beta   138.22
_cell_angle_gamma   60.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfHg2
_chemical_formula_sum   'Sr1 Hf1 Hg2'
_cell_volume   104.96
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.21  0.0  0.68  1.0
  Hg  Hg1  1  0.0  0.0  0.36  1.0
  Hg  Hg2  1  0.0  0.21  0.68  1.0

data_SrHfHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   6.21
_cell_angle_alpha   110.89
_cell_angle_beta   110.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfHg2
_chemical_formula_sum   'Sr1 Hf1 Hg2'
_cell_volume   104.96
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.68  0.47  0.47  1.0
  Hg  Hg2  1  0.36  0.36  0.36  1.0
  Hg  Hg3  1  0.47  0.68  0.47  1.0

Sr Hf Hg Hg
SrHfHg2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrHfHg2 cluster. Sr(1) is bonded in a distorted single-bond geometry to one Hg(1) atom. The Sr(1)-Hg(1) bond length is 2.23 Å. Hf(1) is bonded in a 2-coordinate geometry to one Hg(1) and one Hg(2) atom. The Hf(1)-Hg(1) bond length is 1.33 Å. The Hf(1)-Hg(2) bond length is 1.33 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 2-coordinate geometry to one Sr(1) and one Hf(1) atom. In the second Hg site, Hg(2) is bonded in a distorted single-bond geometry to one Hf(1) atom.