data_CoHg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   4.51
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHg2Cl
_chemical_formula_sum   'Co1 Hg2 Cl1'
_cell_volume   87.9
_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
  Co  Co1  1  0.74  0.25  0.0  1.0
  Hg  Hg2  1  0.74  0.0  0.8  1.0
  Hg  Hg3  1  0.0  0.25  0.8  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CoHg2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.51
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHg2Cl
_chemical_formula_sum   'Co1 Hg2 Cl1'
_cell_volume   87.9
_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
  Co  Co0  1  0.74  0.25  0.0  1.0
  Hg  Hg1  1  0.0  0.25  0.8  1.0
  Hg  Hg2  1  0.74  0.0  0.8  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Co Hg Hg Cl
Co Hg Hg Cl 0 1 o o - 0 3 + o o 0 2 + o - 1 3 + o + 1 2 + o o 2 3 o o + 
CoHg2Cl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CoHg2Cl cluster. Co(1) is bonded in a 3-coordinate geometry to one Hg(1), one Hg(2), and one Cl(1) atom. The Co(1)-Hg(1) bond length is 1.61 Å. The Co(1)-Hg(2) bond length is 1.44 Å. The Co(1)-Cl(1) bond length is 1.46 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted single-bond geometry to one Co(1) and one Cl(1) atom. The Hg(1)-Cl(1) bond length is 1.44 Å. In the second Hg site, Hg(2) is bonded in a 2-coordinate geometry to one Co(1) and one Cl(1) atom. The Hg(2)-Cl(1) bond length is 1.61 Å. Cl(1) is bonded in a 3-coordinate geometry to one Co(1), one Hg(1), and one Hg(2) atom.