data_Fe2SiHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   3.18
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiHg
_chemical_formula_sum   'Fe2 Si1 Hg1'
_cell_volume   58.22
_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
  Fe  Fe0  1  0.33  0.59  0.79  1.0
  Fe  Fe1  1  0.0  0.0  0.62  1.0
  Si  Si3  1  0.0  0.0  0.16  1.0
  Hg  Hg2  1  0.33  0.59  0.67  1.0

data_Fe2SiHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   3.18
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiHg
_chemical_formula_sum   'Fe2 Si1 Hg1'
_cell_volume   58.22
_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
  Fe  Fe0  1  0.0  0.0  0.62  1.0
  Fe  Fe1  1  0.33  0.59  0.79  1.0
  Si  Si2  1  0.0  0.0  0.16  1.0
  Hg  Hg3  1  0.33  0.59  0.67  1.0

Fe Fe Si Hg
Fe2HgSi crystallizes in the triclinic P1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Hg(1) and two equivalent Si(1) atoms. The Fe(1)-Hg(1) bond length is 0.86 Å. There is one shorter (2.96 Å) and one longer (3.25 Å) Fe(1)-Si(1) bond length. In the second Fe site, Fe(2) is bonded in a 1-coordinate geometry to one Hg(1) and one Si(1) atom. The Fe(2)-Hg(1) bond length is 1.60 Å. The Fe(2)-Si(1) bond length is 3.22 Å. Hg(1) is bonded in a distorted single-bond geometry to one Fe(1) and one Fe(2) atom. Si(1) is bonded in a 5-coordinate geometry to one Fe(2), two equivalent Fe(1), and two equivalent Si(1) atoms. Both Si(1)-Si(1) bond lengths are 2.66 Å.