data_Re2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.84
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2HgBi
_chemical_formula_sum   'Re2 Hg1 Bi1'
_cell_volume   76.64
_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  0.59  0.0  0.5  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.59  0.42  0.0  1.0
  Bi  Bi0  1  0.0  0.42  0.5  1.0

data_Re2HgBi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.17
_cell_length_b   4.99
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Re2HgBi
_chemical_formula_sum   'Re2 Hg1 Bi1'
_cell_volume   76.64
_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
  Re  Re0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.59  0.5  0.0  1.0
  Hg  Hg2  1  0.59  0.0  0.42  1.0
  Bi  Bi3  1  0.0  0.5  0.42  1.0

Re Re Hg Bi
Re2HgBi crystallizes in the triclinic P1 space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 1-coordinate geometry to two equivalent Hg(1) and one Bi(1) atom. There is one shorter (3.20 Å) and one longer (3.24 Å) Re(1)-Hg(1) bond length. The Re(1)-Bi(1) bond length is 2.42 Å. In the second Re site, Re(2) is bonded in a 1-coordinate geometry to four equivalent Hg(1) atoms. There are a spread of Re(2)-Hg(1) bond distances ranging from 2.42-3.37 Å. Hg(1) is bonded in a 12-coordinate geometry to two equivalent Re(1), four equivalent Re(2), two equivalent Hg(1), and four equivalent Bi(1) atoms. Both Hg(1)-Hg(1) bond lengths are 3.17 Å. There are a spread of Hg(1)-Bi(1) bond distances ranging from 2.80-3.13 Å. Bi(1) is bonded in a 1-coordinate geometry to one Re(1) and four equivalent Hg(1) atoms.