data_Y2ZrHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48
_cell_length_b   10.48
_cell_length_c   10.48
_cell_angle_alpha   19.24
_cell_angle_beta   19.24
_cell_angle_gamma   19.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrHg
_chemical_formula_sum   'Y2 Zr1 Hg1'
_cell_volume   109.44
_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  Y1  1  0.0  0.0  0.21  1.0
  Y  Y2  1  0.0  0.0  0.65  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.43  1.0

data_Y2ZrHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.07
_cell_length_b   3.5
_cell_length_c   10.48
_cell_angle_alpha   90.0
_cell_angle_beta   101.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2ZrHg
_chemical_formula_sum   'Y4 Zr2 Hg2'
_cell_volume   218.88
_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  0.0  0.0  0.35  1.0
  Y  Y1  2  0.0  0.0  0.79  1.0
  Zr  Zr2  2  0.0  0.0  0.0  1.0
  Hg  Hg3  2  0.0  0.0  0.57  1.0

Y Y Zr Hg
Y2ZrHg crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Y2ZrHg clusters. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted linear geometry to one Zr(1) and one Hg(1) atom. The Y(1)-Zr(1) bond length is 2.25 Å. The Y(1)-Hg(1) bond length is 2.27 Å. In the second Y site, Y(2) is bonded in a single-bond geometry to one Hg(1) atom. The Y(2)-Hg(1) bond length is 2.27 Å. Zr(1) is bonded in a distorted single-bond geometry to one Y(1) atom. Hg(1) is bonded in a linear geometry to one Y(1) and one Y(2) atom.