data_ScZnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73
_cell_length_b   8.73
_cell_length_c   8.73
_cell_angle_alpha   23.05
_cell_angle_beta   23.05
_cell_angle_gamma   23.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnHg2
_chemical_formula_sum   'Sc1 Zn1 Hg2'
_cell_volume   89.52
_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
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.74  1.0
  Hg  Hg0  1  0.0  0.0  0.17  1.0
  Hg  Hg1  1  0.0  0.0  0.31  1.0

data_ScZnHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.04
_cell_length_b   3.49
_cell_length_c   8.73
_cell_angle_alpha   90.0
_cell_angle_beta   103.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScZnHg2
_chemical_formula_sum   'Sc2 Zn2 Hg4'
_cell_volume   179.04
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Zn  Zn1  2  -0.0  0.0  0.26  1.0
  Hg  Hg2  2  -0.0  0.0  0.69  1.0
  Hg  Hg3  2  -0.0  0.0  0.83  1.0

Sc Zn Hg Hg
ScHg2Zn crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScHg2Zn clusters. Sc(1) is bonded in a distorted linear geometry to one Hg(1) and one Zn(1) atom. The Sc(1)-Hg(1) bond length is 1.47 Å. The Sc(1)-Zn(1) bond length is 2.26 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted linear geometry to one Sc(1) and one Hg(2) atom. The Hg(1)-Hg(2) bond length is 1.27 Å. In the second Hg site, Hg(2) is bonded in a single-bond geometry to one Hg(1) atom. Zn(1) is bonded in a single-bond geometry to one Sc(1) atom.