data_MoOs4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoOs4Rh
_chemical_formula_sum   'Mo1 Os4 Rh1'
_cell_volume   93.75
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.5  0.5  0.71  1.0
  Os  Os2  1  0.5  0.71  0.5  1.0
  Os  Os3  1  0.71  0.5  0.5  1.0
  Os  Os4  1  0.71  0.71  0.71  1.0
  Rh  Rh5  1  0.41  0.41  0.41  1.0

data_MoOs4Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MoOs4Rh
_chemical_formula_sum   'Mo3 Os12 Rh3'
_cell_volume   281.25
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Mo  Mo0  3  0.0  0.0  0.0  1.0
  Os  Os1  9  0.07  0.14  0.43  1.0
  Os  Os2  3  0.0  0.0  0.29  1.0
  Rh  Rh3  3  0.0  0.0  0.59  1.0

Mo Os Os Os Os Rh
MoOs4Rh crystallizes in the trigonal R3m space group. Mo(1) is bonded in a 12-coordinate geometry to three equivalent Os(2), six equivalent Os(1), and three equivalent Rh(1) atoms. All Mo(1)-Os(2) bond lengths are 2.99 Å. All Mo(1)-Os(1) bond lengths are 2.94 Å. All Mo(1)-Rh(1) bond lengths are 3.09 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 2-coordinate geometry to two equivalent Mo(1), one Os(2), two equivalent Os(1), and two equivalent Rh(1) atoms. The Os(1)-Os(2) bond length is 1.79 Å. Both Os(1)-Os(1) bond lengths are 1.04 Å. There is one shorter (2.13 Å) and one longer (3.16 Å) Os(1)-Rh(1) bond length. In the second Os site, Os(2) is bonded in a 9-coordinate geometry to three equivalent Mo(1), three equivalent Os(1), and three equivalent Rh(1) atoms. All Os(2)-Rh(1) bond lengths are 2.98 Å. Rh(1) is bonded in a 12-coordinate geometry to three equivalent Mo(1), three equivalent Os(2), and six equivalent Os(1) atoms.