data_ReHgBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   3.2
_cell_angle_alpha   96.58
_cell_angle_beta   96.58
_cell_angle_gamma   95.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReHgBr2
_chemical_formula_sum   'Re1 Hg1 Br2'
_cell_volume   102.07
_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  Re3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.84  0.0  0.0  1.0
  Br  Br0  1  0.92  0.89  0.0  1.0
  Br  Br1  1  0.92  0.11  0.0  1.0

data_ReHgBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   95.4
_cell_angle_beta   96.58
_cell_angle_gamma   96.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReHgBr2
_chemical_formula_sum   'Re1 Hg1 Br2'
_cell_volume   102.07
_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  Re0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.84  0.0  1.0
  Br  Br2  1  0.0  0.92  0.11  1.0
  Br  Br3  1  0.0  0.92  0.89  1.0

Re Hg Br Br
ReHgBr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ReHgBr2 cluster. Re(1) is bonded in a 3-coordinate geometry to one Hg(1), one Br(1), and one Br(2) atom. The Re(1)-Hg(1) bond length is 0.93 Å. The Re(1)-Br(1) bond length is 0.74 Å. The Re(1)-Br(2) bond length is 0.81 Å. Hg(1) is bonded in a 3-coordinate geometry to one Re(1), one Br(1), and one Br(2) atom. The Hg(1)-Br(1) bond length is 0.81 Å. The Hg(1)-Br(2) bond length is 0.74 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to one Re(1) and one Hg(1) atom. In the second Br site, Br(2) is bonded in a 2-coordinate geometry to one Re(1) and one Hg(1) atom.