data_ScIn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   4.77
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   94.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIn2Hg
_chemical_formula_sum   'Sc1 In2 Hg1'
_cell_volume   96.25
_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
  In  In1  1  0.0  0.39  0.72  1.0
  In  In2  1  0.81  0.39  0.47  1.0
  Hg  Hg0  1  0.4  0.0  0.09  1.0

data_ScIn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.77
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   94.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIn2Hg
_chemical_formula_sum   'Sc1 In2 Hg1'
_cell_volume   96.25
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.39  0.72  1.0
  In  In2  1  0.81  0.39  0.47  1.0
  Hg  Hg3  1  0.4  0.0  0.09  1.0

Sc In In Hg
Sc In In Hg 0 3 o o o 1 2 - o o 
ScHgIn2 crystallizes in the triclinic P1 space group. Sc(1) is bonded in a 2-coordinate geometry to two equivalent Hg(1) and two equivalent In(1) atoms. There is one shorter (1.40 Å) and one longer (2.07 Å) Sc(1)-Hg(1) bond length. There is one shorter (2.52 Å) and one longer (3.40 Å) Sc(1)-In(1) bond length. Hg(1) is bonded in a 2-coordinate geometry to two equivalent Sc(1) and one In(2) atom. The Hg(1)-In(2) bond length is 3.17 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and one In(2) atom. The In(1)-In(2) bond length is 1.66 Å. In the second In site, In(2) is bonded in a 2-coordinate geometry to one Hg(1) and one In(1) atom.