data_TiCuHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   3.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCuHg2
_chemical_formula_sum   'Ti1 Cu1 Hg2'
_cell_volume   73.67
_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  Ti3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.15  0.15  0.0  1.0
  Hg  Hg1  1  0.15  0.0  0.99  1.0
  Hg  Hg2  1  0.0  0.15  0.99  1.0

data_TiCuHg2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   3.99
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   TiCuHg2
_chemical_formula_sum   'Ti2 Cu2 Hg4'
_cell_volume   147.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.0  0.0  0.15  1.0
  Hg  Hg2  4  0.0  0.07  0.07  1.0

Ti Cu Hg Hg
Ti Cu Hg Hg 0 3 o o - 0 2 o o - 1 3 o o - 1 2 o o - 
CuHg2Ti is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CuHg2Ti clusters. Ti(1) is bonded in an L-shaped geometry to two equivalent Hg(1) atoms. Both Ti(1)-Hg(1) bond lengths are 0.64 Å. Cu(1) is bonded in an L-shaped geometry to two equivalent Hg(1) atoms. Both Cu(1)-Hg(1) bond lengths are 0.64 Å. Hg(1) is bonded in an L-shaped geometry to one Ti(1) and one Cu(1) atom.