data_ScIn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   5.06
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   94.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIn2Hg
_chemical_formula_sum   'Sc1 In2 Hg1'
_cell_volume   95.97
_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  0.36  0.0  0.84  1.0
  In  In1  1  0.6  0.0  0.65  1.0
  In  In2  1  0.6  0.53  0.5  1.0
  Hg  Hg0  1  0.4  0.53  0.23  1.0

data_ScIn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.06
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   94.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIn2Hg
_chemical_formula_sum   'Sc1 In2 Hg1'
_cell_volume   95.97
_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  Sc0  1  0.36  0.0  0.84  1.0
  In  In1  1  0.6  0.0  0.65  1.0
  In  In2  1  0.6  0.53  0.5  1.0
  Hg  Hg3  1  0.4  0.53  0.23  1.0

Sc In In Hg
Sc In In Hg 0 1 o o o 2 3 o o o 
ScInIn(Hg) crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one In(Hg) cluster and one ScIn cluster. In the In(Hg) cluster, Hg(1) is bonded in a distorted single-bond geometry to one In(2) atom. The Hg(1)-In(2) bond length is 1.61 Å. In(2) is bonded in a single-bond geometry to one Hg(1) atom. In the ScIn cluster, Sc(1) is bonded in a distorted single-bond geometry to one In(1) atom. The Sc(1)-In(1) bond length is 1.39 Å. In(1) is bonded in a distorted single-bond geometry to one Sc(1) atom.