data_ZrCoHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   7.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCoHg2
_chemical_formula_sum   'Zr1 Co1 Hg2'
_cell_volume   79.78
_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
  Zr  Zr3  1  0.63  0.63  0.16  1.0
  Co  Co0  1  0.0  0.0  0.45  1.0
  Hg  Hg1  1  0.63  0.63  0.19  1.0
  Hg  Hg2  1  0.0  0.0  0.97  1.0

data_ZrCoHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   7.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrCoHg2
_chemical_formula_sum   'Zr2 Co2 Hg4'
_cell_volume   159.56
_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
  Zr  Zr0  2  0.13  0.5  0.16  1.0
  Co  Co1  2  0.0  0.0  0.45  1.0
  Hg  Hg2  2  0.0  0.0  0.97  1.0
  Hg  Hg3  2  0.13  0.5  0.19  1.0

Zr Co Hg Hg
Zr Co Hg Hg 0 2 o o o 0 1 + + o 0 1 + o o 0 1 o + o 0 3 + + - 0 3 + o - 0 3 o + - 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 1 1 + o o 1 1 o + o 2 3 + + - 
ZrCoHg2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrCoHg2 clusters. Zr(1) is bonded in a single-bond geometry to one Hg(1) and one Hg(2) atom. The Zr(1)-Hg(1) bond length is 0.28 Å. The Zr(1)-Hg(2) bond length is 2.22 Å. Co(1) is bonded in a 1-coordinate geometry to one Hg(1) atom. The Co(1)-Hg(1) bond length is 2.55 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one Zr(1) and one Co(1) atom. In the second Hg site, Hg(2) is bonded in a 1-coordinate geometry to one Zr(1) atom.