data_CoReHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.2
_cell_length_b   9.2
_cell_length_c   9.2
_cell_angle_alpha   18.32
_cell_angle_beta   18.32
_cell_angle_gamma   18.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReHg2
_chemical_formula_sum   'Co1 Re1 Hg2'
_cell_volume   67.09
_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
  Re  Re3  1  0.0  0.0  0.56  1.0
  Hg  Hg1  1  0.0  0.0  0.9  1.0
  Hg  Hg2  1  0.0  0.0  0.21  1.0

data_CoReHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   2.93
_cell_length_c   9.2
_cell_angle_alpha   90.0
_cell_angle_beta   100.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoReHg2
_chemical_formula_sum   'Co2 Re2 Hg4'
_cell_volume   134.19
_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
  Co  Co0  2  0.0  0.0  0.0  1.0
  Re  Re1  2  -0.0  0.0  0.44  1.0
  Hg  Hg2  2  -0.0  0.0  0.1  1.0
  Hg  Hg3  2  0.0  0.0  0.79  1.0

Co Re Hg Hg
ReCoHg2 crystallizes in the monoclinic Cm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to six Re(1,1); one Hg(1); and one Hg(2) atom to form a mixture of corner and edge-sharing ReRe6Hg2 hexagonal bipyramids. All Re(1)-Re(1,1) bond lengths are 2.93 Å. The Re(1)-Hg(1) bond length is 3.16 Å. The Re(1)-Hg(2) bond length is 3.16 Å. In the second Re site, Re(1) is bonded to six Re(1,1); one Hg(1); and one Hg(2) atom to form a mixture of corner and edge-sharing ReRe6Hg2 hexagonal bipyramids. Both Re(1)-Re(1) bond lengths are 2.93 Å. The Re(1)-Hg(1) bond length is 3.16 Å. The Re(1)-Hg(2) bond length is 3.16 Å. Co(1) is bonded in a distorted single-bond geometry to one Hg(1) and one Hg(2) atom. The Co(1)-Hg(1) bond length is 0.90 Å. The Co(1)-Hg(2) bond length is 1.97 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one Re(1) and one Co(1) atom. In the second Hg site, Hg(2) is bonded in a distorted single-bond geometry to one Re(1) and one Co(1) atom.