data_CoHg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHg2Sb
_chemical_formula_sum   'Co1 Hg2 Sb1'
_cell_volume   85.98
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.15  0.0  0.73  1.0
  Hg  Hg2  1  0.15  0.0  0.32  1.0
  Sb  Sb3  1  0.0  0.0  0.52  1.0

data_CoHg2Sb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CoHg2Sb
_chemical_formula_sum   'Co1 Hg2 Sb1'
_cell_volume   86.02
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.15  0.0  0.32  1.0
  Hg  Hg2  1  0.15  0.0  0.73  1.0
  Sb  Sb3  1  0.0  0.0  0.52  1.0

Co Hg Hg Sb
Co Hg Hg Sb 0 0 o + o 0 0 + o o 0 1 o o - 0 2 o o o 1 3 o o o 2 3 o o o 
CoHg2Sb crystallizes in the monoclinic Pm space group. Co(1) is bonded to four equivalent Co(1), one Hg(1), and one Hg(2) atom to form a mixture of distorted edge and corner-sharing CoCo4Hg2 octahedra. The corner-sharing octahedra are not tilted. All Co(1)-Co(1) bond lengths are 3.08 Å. The Co(1)-Hg(1) bond length is 2.52 Å. The Co(1)-Hg(2) bond length is 2.94 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one Sb(1) atom. The Hg(1)-Sb(1) bond length is 1.88 Å. In the second Hg site, Hg(2) is bonded in a 1-coordinate geometry to one Co(1) and one Sb(1) atom. The Hg(2)-Sb(1) bond length is 1.88 Å. Sb(1) is bonded in a bent 150 degrees geometry to one Hg(1) and one Hg(2) atom.