data_Fe2ReHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   135.57
_cell_angle_beta   135.57
_cell_angle_gamma   64.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2ReHg
_chemical_formula_sum   'Fe2 Re1 Hg1'
_cell_volume   55.2
_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
  Fe  Fe0  1  0.0  0.83  0.05  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.1  1.0
  Hg  Hg2  1  0.83  0.0  0.05  1.0

data_Fe2ReHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   4.85
_cell_angle_alpha   112.21
_cell_angle_beta   112.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2ReHg
_chemical_formula_sum   'Fe2 Re1 Hg1'
_cell_volume   55.2
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.22  0.05  0.22  1.0
  Re  Re2  1  0.1  0.1  0.1  1.0
  Hg  Hg3  1  0.05  0.22  0.22  1.0

Fe Fe Re Hg
ReFe2Hg crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ReFe2Hg cluster. Re(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one Hg(1) atom. The Re(1)-Fe(1) bond length is 0.65 Å. The Re(1)-Fe(2) bond length is 0.49 Å. The Re(1)-Hg(1) bond length is 0.65 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one Re(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Re(1) atom. Hg(1) is bonded in a distorted single-bond geometry to one Re(1) atom.