data_Rh3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rh3Se
_chemical_formula_sum   'Rh3 Se1'
_cell_volume   59.68
_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
  Rh  Rh0  1  0.46  0.46  0.71  1.0
  Rh  Rh1  1  0.0  0.0  0.52  1.0
  Rh  Rh2  1  0.46  0.46  0.34  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Rh3Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Rh3Se
_chemical_formula_sum   'Rh6 Se2'
_cell_volume   119.37
_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
  Rh  Rh0  2  0.0  0.0  0.52  1.0
  Rh  Rh1  2  0.46  0.0  0.34  1.0
  Rh  Rh2  2  0.46  0.0  0.71  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Rh Rh Rh Se
Rh3Se crystallizes in the monoclinic Cm space group. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 13-coordinate geometry to one Rh(3), four equivalent Rh(1), four equivalent Rh(2), and four equivalent Se(1) atoms. The Rh(1)-Rh(3) bond length is 2.62 Å. All Rh(1)-Rh(1) bond lengths are 2.91 Å. There are a spread of Rh(1)-Rh(2) bond distances ranging from 2.29-2.60 Å. There are a spread of Rh(1)-Se(1) bond distances ranging from 2.78-3.04 Å. In the second Rh site, Rh(2) is bonded in a distorted body-centered cubic geometry to four equivalent Rh(1) and four equivalent Rh(3) atoms. There are a spread of Rh(2)-Rh(3) bond distances ranging from 2.29-2.60 Å. In the third Rh site, Rh(3) is bonded in a 13-coordinate geometry to one Rh(1), four equivalent Rh(2), four equivalent Rh(3), and four equivalent Se(1) atoms. All Rh(3)-Rh(3) bond lengths are 2.91 Å. There are a spread of Rh(3)-Se(1) bond distances ranging from 3.02-3.26 Å. Se(1) is bonded to four equivalent Rh(1), four equivalent Rh(3), and four equivalent Se(1) atoms to form a mixture of distorted corner and face-sharing SeRh8Se4 cuboctahedra. All Se(1)-Se(1) bond lengths are 2.91 Å.