data_TlOs2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlOs2Rh
_chemical_formula_sum   'Tl1 Os2 Rh1'
_cell_volume   65.2
_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
  Tl  Tl3  1  0.6  0.6  0.6  1.0
  Os  Os0  1  0.19  0.19  0.19  1.0
  Os  Os1  1  0.79  0.79  0.79  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_TlOs2Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   11.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlOs2Rh
_chemical_formula_sum   'Tl3 Os6 Rh3'
_cell_volume   195.6
_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
  Tl  Tl0  3  0.0  0.0  0.4  1.0
  Os  Os1  3  0.0  0.0  0.21  1.0
  Os  Os2  3  0.0  0.0  0.81  1.0
  Rh  Rh3  3  0.0  0.0  1.0  1.0

Tl Os Os Rh
Os2RhTl crystallizes in the trigonal R3m space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to one Rh(1) and three equivalent Tl(1) atoms to form distorted corner-sharing OsTl3Rh tetrahedra. The Os(1)-Rh(1) bond length is 2.15 Å. All Os(1)-Tl(1) bond lengths are 2.72 Å. In the second Os site, Os(2) is bonded in a 2-coordinate geometry to one Rh(1) and one Tl(1) atom. The Os(2)-Rh(1) bond length is 2.30 Å. The Os(2)-Tl(1) bond length is 2.15 Å. Rh(1) is bonded in a 5-coordinate geometry to one Os(1), one Os(2), and three equivalent Tl(1) atoms. All Rh(1)-Tl(1) bond lengths are 2.72 Å. Tl(1) is bonded in a 1-coordinate geometry to one Os(2), three equivalent Os(1), and three equivalent Rh(1) atoms.