data_ReRhSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   4.55
_cell_angle_alpha   101.27
_cell_angle_beta   101.27
_cell_angle_gamma   35.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRhSe2
_chemical_formula_sum   'Re1 Rh1 Se2'
_cell_volume   66.53
_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  0.16  0.0  0.1  1.0
  Rh  Rh1  1  0.62  0.0  0.58  1.0
  Se  Se2  1  0.23  0.0  0.02  1.0
  Se  Se3  1  0.08  0.0  0.43  1.0

data_ReRhSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.55
_cell_length_c   5.05
_cell_angle_alpha   101.27
_cell_angle_beta   107.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRhSe2
_chemical_formula_sum   'Re1 Rh1 Se2'
_cell_volume   66.53
_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  0.1  0.16  1.0
  Rh  Rh1  1  0.0  0.58  0.62  1.0
  Se  Se2  1  0.0  0.02  0.23  1.0
  Se  Se3  1  0.0  0.43  0.08  1.0

Re Rh Se Se
ReRhSe2 crystallizes in the triclinic P1 space group. Re(1) is bonded in a distorted single-bond geometry to two equivalent Rh(1), one Se(1), and one Se(2) atom. There is one shorter (2.82 Å) and one longer (3.29 Å) Re(1)-Rh(1) bond length. The Re(1)-Se(1) bond length is 0.57 Å. The Re(1)-Se(2) bond length is 1.63 Å. Rh(1) is bonded in a 8-coordinate geometry to two equivalent Re(1), two equivalent Rh(1), two equivalent Se(1), and two equivalent Se(2) atoms. Both Rh(1)-Rh(1) bond lengths are 3.11 Å. There is one shorter (2.90 Å) and one longer (3.05 Å) Rh(1)-Se(1) bond length. There is one shorter (2.55 Å) and one longer (2.67 Å) Rh(1)-Se(2) bond length. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a single-bond geometry to one Re(1) and two equivalent Rh(1) atoms. In the second Se site, Se(2) is bonded in a distorted single-bond geometry to one Re(1) and two equivalent Rh(1) atoms.