data_InSiHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiHg2
_chemical_formula_sum   'In1 Si1 Hg2'
_cell_volume   92.89
_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  0.2  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.6  0.27  0.6  1.0
  Hg  Hg1  1  0.6  0.73  0.6  1.0

data_InSiHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   109.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiHg2
_chemical_formula_sum   'In1 Si1 Hg2'
_cell_volume   92.89
_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  0.2  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.6  0.6  0.27  1.0
  Hg  Hg3  1  0.6  0.6  0.73  1.0

In Si Hg Hg
In Si Hg Hg 0 1 o o o 0 2 o o o 0 2 o o - 1 3 - - o 1 3 - - - 2 3 o o o 2 3 o - o 2 2 o o + 3 3 o o + 
Hg2InSi crystallizes in the triclinic P1 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to two equivalent Hg(1), two equivalent Hg(2), and two equivalent In(1) atoms. Both Hg(1)-Hg(1) bond lengths are 3.20 Å. There is one shorter (2.58 Å) and one longer (2.98 Å) Hg(1)-Hg(2) bond length. There is one shorter (2.56 Å) and one longer (2.93 Å) Hg(1)-In(1) bond length. In the second Hg site, Hg(2) is bonded in a 7-coordinate geometry to two equivalent Hg(1), two equivalent Hg(2), one In(1), and two equivalent Si(1) atoms. Both Hg(2)-Hg(2) bond lengths are 3.20 Å. The Hg(2)-In(1) bond length is 3.31 Å. There is one shorter (2.56 Å) and one longer (2.93 Å) Hg(2)-Si(1) bond length. In(1) is bonded in a distorted single-bond geometry to one Hg(2), two equivalent Hg(1), and one Si(1) atom. The In(1)-Si(1) bond length is 1.12 Å. Si(1) is bonded in a distorted single-bond geometry to two equivalent Hg(2) and one In(1) atom.