data_ScCdHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   120.74
_cell_angle_beta   120.74
_cell_angle_gamma   88.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdHg2
_chemical_formula_sum   'Sc1 Cd1 Hg2'
_cell_volume   86.26
_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
  Cd  Cd0  1  0.0  0.0  0.56  1.0
  Hg  Hg1  1  0.46  0.0  0.78  1.0
  Hg  Hg2  1  0.0  0.46  0.78  1.0

data_ScCdHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   134.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCdHg2
_chemical_formula_sum   'Sc2 Cd2 Hg4'
_cell_volume   172.51
_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
  Cd  Cd1  2  0.0  0.0  0.56  1.0
  Hg  Hg2  4  0.27  0.27  0.32  1.0

Sc Cd Hg Hg
Sc Cd Hg Hg 0 2 - o - 0 3 o - - 0 1 o o - 1 3 o o o 1 2 o o o 
ScHg2Cd crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a 3-coordinate geometry to two equivalent Hg(1) and two equivalent Cd(1) atoms. Both Sc(1)-Hg(1) bond lengths are 2.32 Å. There is one shorter (2.19 Å) and one longer (2.78 Å) Sc(1)-Cd(1) bond length. Hg(1) is bonded in a linear geometry to one Sc(1) and one Cd(1) atom. The Hg(1)-Cd(1) bond length is 1.98 Å. Cd(1) is bonded in a 4-coordinate geometry to two equivalent Sc(1) and two equivalent Hg(1) atoms.