data_YCuHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuHg2
_chemical_formula_sum   'Y1 Cu1 Hg2'
_cell_volume   89.03
_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
  Y  Y3  1  0.79  0.79  0.63  1.0
  Cu  Cu0  1  0.0  0.0  0.28  1.0
  Hg  Hg1  1  0.79  0.79  0.71  1.0
  Hg  Hg2  1  0.0  0.0  0.72  1.0

data_YCuHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YCuHg2
_chemical_formula_sum   'Y2 Cu2 Hg4'
_cell_volume   178.07
_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
  Y  Y0  2  0.29  0.5  0.63  1.0
  Cu  Cu1  2  0.0  0.0  0.28  1.0
  Hg  Hg2  2  0.0  0.0  0.72  1.0
  Hg  Hg3  2  0.29  0.5  0.71  1.0

Y Cu Hg Hg
YCuHg2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YCuHg2 clusters. Y(1) is bonded in a single-bond geometry to one Cu(1), one Hg(1), and one Hg(2) atom. The Y(1)-Cu(1) bond length is 2.68 Å. The Y(1)-Hg(1) bond length is 0.55 Å. The Y(1)-Hg(2) bond length is 1.22 Å. Cu(1) is bonded in a single-bond geometry to one Y(1) atom. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one Y(1) and one Hg(2) atom. The Hg(1)-Hg(2) bond length is 1.06 Å. In the second Hg site, Hg(2) is bonded in a 2-coordinate geometry to one Y(1) and one Hg(1) atom.