data_Os2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2RhSe
_chemical_formula_sum   'Os2 Rh1 Se1'
_cell_volume   59.51
_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
  Os  Os0  1  0.45  0.45  0.74  1.0
  Os  Os1  1  0.45  0.45  0.38  1.0
  Rh  Rh2  1  0.0  0.0  0.56  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Os2RhSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Os2RhSe
_chemical_formula_sum   'Os4 Rh2 Se2'
_cell_volume   119.01
_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
  Os  Os0  2  0.45  0.0  0.38  1.0
  Os  Os1  2  0.45  0.0  0.74  1.0
  Rh  Rh2  2  0.0  0.0  0.56  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Os Os Rh Se
Os Os Rh Se 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 3 o o + 0 3 o + + 0 3 + o + 0 3 + + + 0 0 + o o 0 0 o + o 0 1 o o o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 3 o o o 2 3 o o + 3 3 + o o 3 3 o + o 
Os2RhSe crystallizes in the monoclinic Cm space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 13-coordinate geometry to one Os(2), four equivalent Os(1), four equivalent Rh(1), and four equivalent Se(1) atoms. The Os(1)-Os(2) bond length is 2.52 Å. All Os(1)-Os(1) bond lengths are 2.89 Å. There are a spread of Os(1)-Rh(1) bond distances ranging from 2.22-2.59 Å. There are a spread of Os(1)-Se(1) bond distances ranging from 2.62-2.94 Å. In the second Os site, Os(2) is bonded in a 4-coordinate geometry to one Os(1), four equivalent Rh(1), and one Se(1) atom. There are a spread of Os(2)-Rh(1) bond distances ranging from 2.22-2.59 Å. The Os(2)-Se(1) bond length is 3.27 Å. Rh(1) is bonded in a distorted body-centered cubic geometry to four equivalent Os(1) and four equivalent Os(2) atoms. Se(1) is bonded in a 9-coordinate geometry to one Os(2), four equivalent Os(1), and four equivalent Se(1) atoms. All Se(1)-Se(1) bond lengths are 2.89 Å.