data_Sc2HgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   151.13
_cell_angle_beta   138.27
_cell_angle_gamma   51.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2HgCl
_chemical_formula_sum   'Sc2 Hg1 Cl1'
_cell_volume   89.61
_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  0.29  1.0
  Sc  Sc3  1  0.0  0.33  0.61  1.0
  Hg  Hg1  1  0.63  0.0  0.3  1.0
  Cl  Cl0  1  0.0  0.0  0.37  1.0

data_Sc2HgCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.66
_cell_length_c   6.54
_cell_angle_alpha   110.86
_cell_angle_beta   104.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2HgCl
_chemical_formula_sum   'Sc2 Hg1 Cl1'
_cell_volume   89.61
_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  Sc0  1  0.39  0.72  0.72  1.0
  Sc  Sc1  1  0.71  0.71  0.71  1.0
  Hg  Hg2  1  0.33  0.7  0.33  1.0
  Cl  Cl3  1  0.63  0.63  0.63  1.0

Sc Sc Hg Cl
Sc Sc Hg Cl 0 3 o o o 0 1 o o o 0 2 - o o 1 3 o o o 1 2 - o o 2 3 + o o 
Sc2HgCl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sc2HgCl cluster. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one Cl(1) atom. The Sc(1)-Cl(1) bond length is 0.48 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Cl(1) atom. The Sc(2)-Cl(1) bond length is 1.08 Å. Hg(1) is bonded in a single-bond geometry to one Cl(1) atom. The Hg(1)-Cl(1) bond length is 2.11 Å. Cl(1) is bonded in a single-bond geometry to one Sc(1), one Sc(2), and one Hg(1) atom.