data_ScNiHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNiHg2
_chemical_formula_sum   'Sc1 Ni1 Hg2'
_cell_volume   78.36
_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  0.24  1.0
  Ni  Ni2  1  0.25  0.0  0.63  1.0
  Hg  Hg0  1  0.25  0.0  0.13  1.0
  Hg  Hg1  1  0.0  0.0  0.32  1.0

data_ScNiHg2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScNiHg2
_chemical_formula_sum   'Sc1 Ni1 Hg2'
_cell_volume   78.39
_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  0.24  1.0
  Ni  Ni1  1  0.25  0.0  0.63  1.0
  Hg  Hg2  1  0.0  0.0  0.32  1.0
  Hg  Hg3  1  0.25  0.0  0.13  1.0

Sc Ni Hg Hg
ScNiHg2 crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one ScNiHg2 cluster. Sc(1) is bonded in a 2-coordinate geometry to one Hg(1) and one Hg(2) atom. The Sc(1)-Hg(1) bond length is 1.18 Å. The Sc(1)-Hg(2) bond length is 0.60 Å. Ni(1) is bonded in a single-bond geometry to one Hg(2) atom. The Ni(1)-Hg(2) bond length is 2.45 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one Sc(1) atom. In the second Hg site, Hg(2) is bonded in a single-bond geometry to one Sc(1) and one Ni(1) atom.