data_Zn2ReHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2ReHg
_chemical_formula_sum   'Zn2 Re1 Hg1'
_cell_volume   65.76
_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
  Zn  Zn2  1  0.65  0.65  0.28  1.0
  Zn  Zn3  1  0.65  0.65  0.74  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.01  1.0

data_Zn2ReHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2ReHg
_chemical_formula_sum   'Zn4 Re2 Hg2'
_cell_volume   131.52
_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
  Zn  Zn0  2  0.15  0.5  0.28  1.0
  Zn  Zn1  2  0.15  0.5  0.74  1.0
  Re  Re2  2  0.0  0.0  0.0  1.0
  Hg  Hg3  2  0.0  0.0  0.01  1.0

Zn Zn Re Hg
Zn Zn Re Hg 0 3 + + o 0 2 + + o 0 1 o o o 1 3 + + + 1 2 + + + 2 3 o o o 
ReHgZn2 crystallizes in the monoclinic Cm space group. Re(1) is bonded in a single-bond geometry to one Hg(1) and one Zn(2) atom. The Re(1)-Hg(1) bond length is 0.05 Å. The Re(1)-Zn(2) bond length is 2.27 Å. Hg(1) is bonded in a single-bond geometry to one Re(1) and three equivalent Zn(1) atoms. There is one shorter (2.31 Å) and two longer (2.94 Å) Hg(1)-Zn(1) bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted single-bond geometry to three equivalent Hg(1) and one Zn(2) atom. The Zn(1)-Zn(2) bond length is 2.74 Å. In the second Zn site, Zn(2) is bonded in a distorted single-bond geometry to one Re(1) and one Zn(1) atom.