data_Ti2MnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   121.26
_cell_angle_beta   121.26
_cell_angle_gamma   87.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnHg
_chemical_formula_sum   'Ti2 Mn1 Hg1'
_cell_volume   63.77
_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
  Ti  Ti2  1  0.21  0.0  0.63  1.0
  Ti  Ti3  1  0.0  0.21  0.63  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.25  1.0

data_Ti2MnHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   133.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2MnHg
_chemical_formula_sum   'Ti4 Mn2 Hg2'
_cell_volume   127.54
_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
  Ti  Ti0  4  0.48  0.11  0.59  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  2  0.25  0.5  0.75  1.0

Ti Ti Mn Hg
Ti2MnHg is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ti2MnHg clusters. Ti(1) is bonded in a 2-coordinate geometry to one Ti(1) and one Hg(1) atom. The Ti(1)-Ti(1) bond length is 1.34 Å. The Ti(1)-Hg(1) bond length is 1.45 Å. Mn(1) is bonded in a single-bond geometry to one Hg(1) atom. The Mn(1)-Hg(1) bond length is 1.14 Å. Hg(1) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Mn(1) atom.