data_Sc2InHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InHg
_chemical_formula_sum   'Sc2 In1 Hg1'
_cell_volume   89.0
_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  0.7  0.7  0.97  1.0
  Sc  Sc3  1  0.7  0.7  0.73  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.85  1.0

data_Sc2InHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2InHg
_chemical_formula_sum   'Sc4 In2 Hg2'
_cell_volume   178.01
_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  0.2  0.5  0.73  1.0
  Sc  Sc1  2  0.2  0.5  0.97  1.0
  In  In2  2  0.0  0.0  0.0  1.0
  Hg  Hg3  2  0.0  0.0  0.85  1.0

Sc Sc In Hg
Sc2HgIn crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sc2HgIn clusters. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 2-coordinate geometry to one Hg(1) and one In(1) atom. The Sc(1)-Hg(1) bond length is 1.70 Å. The Sc(1)-In(1) bond length is 1.46 Å. In the second Sc site, Sc(2) is bonded in a distorted single-bond geometry to one Hg(1) atom. The Sc(2)-Hg(1) bond length is 1.70 Å. Hg(1) is bonded in a 1-coordinate geometry to one Sc(1), one Sc(2), and one In(1) atom. The Hg(1)-In(1) bond length is 1.15 Å. In(1) is bonded in a 1-coordinate geometry to one Sc(1) and one Hg(1) atom.