data_InFe2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21
_cell_length_b   9.21
_cell_length_c   9.21
_cell_angle_alpha   19.07
_cell_angle_beta   19.07
_cell_angle_gamma   19.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFe2Hg
_chemical_formula_sum   'In1 Fe2 Hg1'
_cell_volume   72.81
_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  In3  1  0.0  0.0  0.1  1.0
  Fe  Fe0  1  0.0  0.0  0.3  1.0
  Fe  Fe1  1  0.0  0.0  0.02  1.0
  Hg  Hg2  1  0.0  0.0  0.25  1.0

data_InFe2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   3.05
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   101.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InFe2Hg
_chemical_formula_sum   'In2 Fe4 Hg2'
_cell_volume   145.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.9  1.0
  Fe  Fe1  2  0.0  0.0  0.7  1.0
  Fe  Fe2  2  0.0  0.0  0.98  1.0
  Hg  Hg3  2  0.0  0.0  0.75  1.0

In Fe Fe Hg
In Fe Fe Hg 0 2 o o o 1 3 o o o 
Fe2HgIn is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Fe2HgIn clusters. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Hg(1) atom. The Fe(1)-Hg(1) bond length is 0.50 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one In(1) atom. The Fe(2)-In(1) bond length is 0.71 Å. Hg(1) is bonded in a linear geometry to one Fe(1) and one In(1) atom. The Hg(1)-In(1) bond length is 1.38 Å. In(1) is bonded in a linear geometry to one Fe(2) and one Hg(1) atom.