data_ReSnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSnHg2
_chemical_formula_sum   'Re1 Sn1 Hg2'
_cell_volume   84.75
_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
  Re  Re2  1  0.0  0.0  0.46  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.75  0.75  0.94  1.0
  Hg  Hg1  1  0.75  0.75  0.98  1.0

data_ReSnHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReSnHg2
_chemical_formula_sum   'Re2 Sn2 Hg4'
_cell_volume   169.51
_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
  Re  Re0  2  0.0  0.0  0.46  1.0
  Sn  Sn1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  2  0.25  0.5  0.94  1.0
  Hg  Hg3  2  0.25  0.5  0.98  1.0

Re Sn Hg Hg
ReHg2Sn crystallizes in the monoclinic Cm space group. Re(1) is bonded in a 6-coordinate geometry to four equivalent Re(1), one Hg(1), and one Sn(1) atom. All Re(1)-Re(1) bond lengths are 3.50 Å. The Re(1)-Hg(1) bond length is 3.55 Å. The Re(1)-Sn(1) bond length is 3.20 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), one Hg(2), and one Sn(1) atom. The Hg(1)-Hg(2) bond length is 0.28 Å. The Hg(1)-Sn(1) bond length is 1.30 Å. In the second Hg site, Hg(2) is bonded in a single-bond geometry to one Hg(1) and one Sn(1) atom. The Hg(2)-Sn(1) bond length is 1.25 Å. Sn(1) is bonded in a 2-coordinate geometry to one Re(1), one Hg(1), and one Hg(2) atom.