data_TiCr2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCr2Hg
_chemical_formula_sum   'Ti1 Cr2 Hg1'
_cell_volume   59.49
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.91  0.03  1.0
  Cr  Cr1  1  0.91  0.0  0.03  1.0
  Hg  Hg2  1  0.91  0.91  0.0  1.0

data_TiCr2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiCr2Hg
_chemical_formula_sum   'Ti2 Cr4 Hg2'
_cell_volume   118.98
_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  2  0.0  0.0  0.0  1.0
  Cr  Cr1  4  0.46  0.46  0.03  1.0
  Hg  Hg2  2  0.41  0.5  0.0  1.0

Ti Cr Cr Hg
TiCr2Hg is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiCr2Hg clusters. Ti(1) is bonded in a distorted L-shaped geometry to two equivalent Cr(1) atoms. Both Ti(1)-Cr(1) bond lengths are 0.35 Å. Cr(1) is bonded in an L-shaped geometry to one Ti(1) and one Hg(1) atom. The Cr(1)-Hg(1) bond length is 0.35 Å. Hg(1) is bonded in a distorted L-shaped geometry to two equivalent Cr(1) atoms.