data_InSnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   3.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSnHg2
_chemical_formula_sum   'In1 Sn1 Hg2'
_cell_volume   104.82
_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
  In  In2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.38  0.0  0.0  1.0
  Hg  Hg0  1  0.69  0.71  0.69  1.0
  Hg  Hg1  1  0.69  0.29  0.69  1.0

data_InSnHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   107.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSnHg2
_chemical_formula_sum   'In1 Sn1 Hg2'
_cell_volume   104.82
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.38  0.0  1.0
  Hg  Hg2  1  0.69  0.69  0.29  1.0
  Hg  Hg3  1  0.69  0.69  0.71  1.0

In Sn Hg Hg
Hg2InSn crystallizes in the triclinic P1 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 1-coordinate geometry to one Hg(2) and one In(1) atom. The Hg(1)-Hg(2) bond length is 2.40 Å. The Hg(1)-In(1) bond length is 2.28 Å. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to one Hg(1), one In(1), and two equivalent Sn(1) atoms. The Hg(2)-In(1) bond length is 2.93 Å. There is one shorter (2.28 Å) and one longer (3.10 Å) Hg(2)-Sn(1) bond length. In(1) is bonded in a 2-coordinate geometry to one Hg(1), one Hg(2), and one Sn(1) atom. The In(1)-Sn(1) bond length is 2.17 Å. Sn(1) is bonded in a 2-coordinate geometry to two equivalent Hg(2) and one In(1) atom.