data_FeHg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHg2Sb
_chemical_formula_sum   'Fe1 Hg2 Sb1'
_cell_volume   87.74
_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  0.0  1.0
  Hg  Hg1  1  0.14  0.0  0.84  1.0
  Hg  Hg2  1  0.14  0.0  0.35  1.0
  Sb  Sb3  1  0.0  0.0  0.6  1.0

data_FeHg2Sb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   FeHg2Sb
_chemical_formula_sum   'Fe1 Hg2 Sb1'
_cell_volume   87.81
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  Hg  Hg1  1  0.14  0.0  0.35  1.0
  Hg  Hg2  1  0.14  0.0  0.84  1.0
  Sb  Sb3  1  0.0  0.0  0.6  1.0

Fe Hg Hg Sb
FeHg2Sb crystallizes in the monoclinic Pm space group. Fe(1) is bonded in a single-bond geometry to one Hg(1) and one Hg(2) atom. The Fe(1)-Hg(1) bond length is 1.50 Å. The Fe(1)-Hg(2) bond length is 3.21 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted single-bond geometry to one Fe(1) and one Sb(1) atom. The Hg(1)-Sb(1) bond length is 2.33 Å. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to one Fe(1), four equivalent Hg(2), and one Sb(1) atom. All Hg(2)-Hg(2) bond lengths are 3.09 Å. The Hg(2)-Sb(1) bond length is 2.33 Å. Sb(1) is bonded in a distorted bent 150 degrees geometry to one Hg(1) and one Hg(2) atom.