data_Mn2FeHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeHg
_chemical_formula_sum   'Mn2 Fe1 Hg1'
_cell_volume   57.03
_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
  Mn  Mn2  1  0.0  0.0  0.29  1.0
  Mn  Mn3  1  0.37  0.37  0.92  1.0
  Fe  Fe0  1  0.0  0.0  0.5  1.0
  Hg  Hg1  1  0.37  0.37  0.64  1.0

data_Mn2FeHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2FeHg
_chemical_formula_sum   'Mn4 Fe2 Hg2'
_cell_volume   114.06
_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
  Mn  Mn0  2  0.0  0.0  0.29  1.0
  Mn  Mn1  2  0.37  0.0  0.92  1.0
  Fe  Fe2  2  0.0  0.0  0.5  1.0
  Hg  Hg3  2  0.37  0.0  0.64  1.0

Mn Mn Fe Hg
Mn2FeHg crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mn2FeHg clusters. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one Fe(1) atom. The Mn(1)-Fe(1) bond length is 1.59 Å. In the second Mn site, Mn(2) is bonded in a single-bond geometry to one Hg(1) atom. The Mn(2)-Hg(1) bond length is 2.07 Å. Fe(1) is bonded in a 2-coordinate geometry to one Mn(1) and one Hg(1) atom. The Fe(1)-Hg(1) bond length is 1.81 Å. Hg(1) is bonded in a 2-coordinate geometry to one Mn(2) and one Fe(1) atom.