data_MgTiHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   3.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiHg2
_chemical_formula_sum   'Mg1 Ti1 Hg2'
_cell_volume   79.49
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.34  0.34  0.0  1.0
  Hg  Hg0  1  0.34  0.0  0.82  1.0
  Hg  Hg1  1  0.0  0.34  0.82  1.0

data_MgTiHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   3.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTiHg2
_chemical_formula_sum   'Mg2 Ti2 Hg4'
_cell_volume   158.97
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Ti  Ti1  2  0.34  0.0  -0.0  1.0
  Hg  Hg2  4  0.17  0.17  0.82  1.0

Mg Ti Hg Hg
MgTiHg2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgTiHg2 clusters. Mg(1) is bonded in a distorted L-shaped geometry to two equivalent Hg(1) atoms. Both Mg(1)-Hg(1) bond lengths are 1.71 Å. Ti(1) is bonded in a distorted L-shaped geometry to two equivalent Hg(1) atoms. Both Ti(1)-Hg(1) bond lengths are 1.71 Å. Hg(1) is bonded in a distorted L-shaped geometry to one Mg(1) and one Ti(1) atom.