data_Sc2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2HgBi
_chemical_formula_sum   'Sc2 Hg1 Bi1'
_cell_volume   104.03
_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  0.33  0.0  0.06  1.0
  Sc  Sc3  1  0.0  0.0  0.13  1.0
  Hg  Hg1  1  0.0  0.0  1.0  1.0
  Bi  Bi0  1  0.33  0.0  0.8  1.0

data_Sc2HgBi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sc2HgBi
_chemical_formula_sum   'Sc2 Hg1 Bi1'
_cell_volume   104.08
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.13  1.0
  Sc  Sc1  1  0.33  0.0  0.06  1.0
  Hg  Hg2  1  0.0  0.0  1.0  1.0
  Bi  Bi3  1  0.33  0.0  0.8  1.0

Sc Sc Hg Bi
Sc Sc Hg Bi 0 2 o o - 0 1 o o o 0 3 o o - 1 2 o o - 2 3 o o o 
Sc2HgBi crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one Sc2HgBi cluster. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted single-bond geometry to one Hg(1) and one Bi(1) atom. The Sc(1)-Hg(1) bond length is 1.24 Å. The Sc(1)-Bi(1) bond length is 2.44 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Hg(1) atom. The Sc(2)-Hg(1) bond length is 1.24 Å. Hg(1) is bonded in a 2-coordinate geometry to one Sc(1), one Sc(2), and one Bi(1) atom. The Hg(1)-Bi(1) bond length is 2.16 Å. Bi(1) is bonded in a 2-coordinate geometry to one Sc(1) and one Hg(1) atom.