data_MnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHg
_chemical_formula_sum   'Mn2 Hg2'
_cell_volume   76.35
_cell_formula_units_Z   2
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  0.52  0.88  0.72  1.0
  Mn  Mn3  1  0.0  0.76  0.76  1.0
  Hg  Hg0  1  0.52  0.88  0.09  1.0
  Hg  Hg1  1  0.0  0.76  0.39  1.0

data_MnHg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnHg
_chemical_formula_sum   'Mn2 Hg2'
_cell_volume   76.35
_cell_formula_units_Z   2
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
  Mn  Mn0  2  0.26  0.56  0.48  1.0
  Hg  Hg1  2  0.26  0.56  0.85  1.0

Mn Mn Hg Hg
MnHg crystallizes in the triclinic P-1 space group. Mn(1) is bonded in a 2-coordinate geometry to two equivalent Mn(1) and three equivalent Hg(1) atoms. There is one shorter (1.50 Å) and one longer (1.70 Å) Mn(1)-Mn(1) bond length. There are a spread of Mn(1)-Hg(1) bond distances ranging from 3.47-3.56 Å. Hg(1) is bonded in a 11-coordinate geometry to three equivalent Mn(1) and eight equivalent Hg(1) atoms. There are a spread of Hg(1)-Hg(1) bond distances ranging from 3.05-3.26 Å.