data_ReHgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   6.8
_cell_angle_alpha   154.13
_cell_angle_beta   154.13
_cell_angle_gamma   36.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReHgSe
_chemical_formula_sum   'Re1 Hg1 Se1'
_cell_volume   59.74
_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  Re1  1  0.0  0.0  0.84  1.0
  Hg  Hg0  1  0.0  0.0  0.32  1.0
  Se  Se2  1  0.0  0.0  0.74  1.0

data_ReHgSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   108.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReHgSe
_chemical_formula_sum   'Re2 Hg2 Se2'
_cell_volume   119.49
_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
  Re  Re0  2  0.0  0.0  0.16  1.0
  Hg  Hg1  2  0.0  0.0  0.68  1.0
  Se  Se2  2  0.0  0.0  0.26  1.0

Re Hg Se
Re Hg Se 0 2 o o o 0 1 o o + 0 1 o o o 1 1 + o + 1 1 o + + 1 2 o o o 
ReHgSe crystallizes in the monoclinic Cm space group. Re(1) is bonded in a single-bond geometry to one Hg(1) and one Se(1) atom. The Re(1)-Hg(1) bond length is 3.30 Å. The Re(1)-Se(1) bond length is 0.63 Å. Hg(1) is bonded in a distorted single-bond geometry to one Re(1), four equivalent Hg(1), and one Se(1) atom. All Hg(1)-Hg(1) bond lengths are 3.04 Å. The Hg(1)-Se(1) bond length is 2.87 Å. Se(1) is bonded in a single-bond geometry to one Re(1) and one Hg(1) atom.