data_ScCoHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   130.85
_cell_angle_beta   130.85
_cell_angle_gamma   72.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoHg2
_chemical_formula_sum   'Sc1 Co1 Hg2'
_cell_volume   73.72
_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  Sc3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.11  1.0
  Hg  Hg1  1  0.12  0.0  0.06  1.0
  Hg  Hg2  1  0.0  0.12  0.06  1.0

data_ScCoHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   126.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCoHg2
_chemical_formula_sum   'Sc2 Co2 Hg4'
_cell_volume   147.43
_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
  Co  Co1  2  0.0  0.0  0.11  1.0
  Hg  Hg2  4  0.44  0.44  0.94  1.0

Sc Co Hg Hg
Sc Co Hg Hg 0 3 o o o 0 2 o o o 0 1 o o o 
ScCoHg2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScCoHg2 clusters. Sc(1) is bonded in a distorted trigonal non-coplanar geometry to one Co(1) and two equivalent Hg(1) atoms. The Sc(1)-Co(1) bond length is 0.58 Å. Both Sc(1)-Hg(1) bond lengths are 0.46 Å. Co(1) is bonded in a single-bond geometry to one Sc(1) atom. Hg(1) is bonded in a single-bond geometry to one Sc(1) atom.