data_CuReHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.78
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuReHg2
_chemical_formula_sum   'Cu1 Re1 Hg2'
_cell_volume   69.72
_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
  Cu  Cu0  1  0.0  0.0  0.07  1.0
  Re  Re3  1  0.0  0.39  0.77  1.0
  Hg  Hg1  1  0.46  0.39  0.32  1.0
  Hg  Hg2  1  0.46  0.0  0.35  1.0

data_CuReHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.78
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuReHg2
_chemical_formula_sum   'Cu1 Re1 Hg2'
_cell_volume   69.72
_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
  Cu  Cu0  1  0.0  0.0  0.07  1.0
  Re  Re1  1  0.0  0.39  0.77  1.0
  Hg  Hg2  1  0.46  0.0  0.35  1.0
  Hg  Hg3  1  0.46  0.39  0.32  1.0

Cu Re Hg Hg
Cu Re Hg Hg 0 3 - o o 0 3 o o o 0 1 o o - 1 2 - o o 1 2 - o + 1 2 o o o 1 2 o o + 1 1 + o o 1 3 o o o 2 3 o o o 
ReCuHg2 crystallizes in the triclinic P1 space group. Re(1) is bonded in a 10-coordinate geometry to two equivalent Re(1), two equivalent Cu(1), two equivalent Hg(2), and four equivalent Hg(1) atoms. Both Re(1)-Re(1) bond lengths are 2.91 Å. There is one shorter (2.38 Å) and one longer (3.27 Å) Re(1)-Cu(1) bond length. There is one shorter (3.10 Å) and one longer (3.21 Å) Re(1)-Hg(2) bond length. There are a spread of Re(1)-Hg(1) bond distances ranging from 2.61-3.18 Å. Cu(1) is bonded in a 2-coordinate geometry to two equivalent Re(1), two equivalent Hg(1), and two equivalent Hg(2) atoms. There is one shorter (2.62 Å) and one longer (2.76 Å) Cu(1)-Hg(1) bond length. There is one shorter (1.96 Å) and one longer (2.14 Å) Cu(1)-Hg(2) bond length. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 10-coordinate geometry to four equivalent Re(1), two equivalent Cu(1), two equivalent Hg(1), and two equivalent Hg(2) atoms. Both Hg(1)-Hg(1) bond lengths are 2.91 Å. There is one shorter (1.87 Å) and one longer (2.92 Å) Hg(1)-Hg(2) bond length. In the second Hg site, Hg(2) is bonded in a 3-coordinate geometry to two equivalent Re(1), two equivalent Cu(1), and two equivalent Hg(1) atoms.