data_YCu2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   134.03
_cell_angle_beta   124.34
_cell_angle_gamma   74.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCu2Hg
_chemical_formula_sum   'Y1 Cu2 Hg1'
_cell_volume   76.76
_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  0.0  0.0  0.15  1.0
  Cu  Cu0  1  0.99  0.0  0.28  1.0
  Cu  Cu1  1  0.0  0.0  0.82  1.0
  Hg  Hg2  1  0.99  0.0  0.9  1.0

data_YCu2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.76
_cell_length_c   5.1
_cell_angle_alpha   117.83
_cell_angle_beta   112.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCu2Hg
_chemical_formula_sum   'Y1 Cu2 Hg1'
_cell_volume   76.76
_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  Y0  1  0.0  0.15  0.15  1.0
  Cu  Cu1  1  0.0  0.28  0.29  1.0
  Cu  Cu2  1  0.0  0.82  0.82  1.0
  Hg  Hg3  1  0.0  0.9  0.91  1.0

Y Cu Cu Hg
Y Cu Cu Hg 0 1 - o o 2 3 - o o 
YCu2Hg crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one YCu2Hg cluster. Y(1) is bonded in a linear geometry to one Cu(1) and one Hg(1) atom. The Y(1)-Cu(1) bond length is 0.69 Å. The Y(1)-Hg(1) bond length is 1.22 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Y(1) atom. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one Hg(1) atom. The Cu(2)-Hg(1) bond length is 0.46 Å. Hg(1) is bonded in a linear geometry to one Y(1) and one Cu(2) atom.