data_ScTaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaHg2
_chemical_formula_sum   'Sc1 Ta1 Hg2'
_cell_volume   83.27
_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  0.54  1.0
  Ta  Ta3  1  0.08  0.0  0.36  1.0
  Hg  Hg0  1  0.0  0.0  0.12  1.0
  Hg  Hg1  1  0.08  0.0  0.87  1.0

data_ScTaHg2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScTaHg2
_chemical_formula_sum   'Sc1 Ta1 Hg2'
_cell_volume   83.34
_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  0.54  1.0
  Ta  Ta1  1  0.08  0.0  0.36  1.0
  Hg  Hg2  1  0.0  0.0  0.12  1.0
  Hg  Hg3  1  0.08  0.0  0.87  1.0

Sc Ta Hg Hg
ScTaHg2 crystallizes in the monoclinic Pm space group. Sc(1) is bonded in a distorted single-bond geometry to one Ta(1) and one Hg(2) atom. The Sc(1)-Ta(1) bond length is 1.71 Å. The Sc(1)-Hg(2) bond length is 3.08 Å. Ta(1) is bonded in a distorted linear geometry to one Sc(1) and one Hg(1) atom. The Ta(1)-Hg(1) bond length is 2.24 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted single-bond geometry to one Ta(1) and one Hg(2) atom. The Hg(1)-Hg(2) bond length is 2.29 Å. In the second Hg site, Hg(2) is bonded to one Sc(1), one Hg(1), and four equivalent Hg(2) atoms to form a mixture of distorted edge and corner-sharing HgScHg5 octahedra. The corner-sharing octahedra are not tilted. All Hg(2)-Hg(2) bond lengths are 3.00 Å.