data_SrTlRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTlRh3
_chemical_formula_sum   'Sr1 Tl1 Rh3'
_cell_volume   128.52
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.52  0.52  0.52  1.0
  Rh  Rh2  1  0.52  0.0  0.52  1.0
  Rh  Rh3  1  0.52  0.52  0.0  1.0
  Rh  Rh4  1  0.0  0.52  0.52  1.0

data_SrTlRh3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.14
_cell_length_b   7.14
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrTlRh3
_chemical_formula_sum   'Sr3 Tl3 Rh9'
_cell_volume   385.55
_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
  Sr  Sr0  3  0.0  0.0  0.0  1.0
  Tl  Tl1  3  0.0  0.0  0.52  1.0
  Rh  Rh2  9  0.17  0.35  0.35  1.0

Sr Tl Rh Rh Rh
SrRh3Tl is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Sr(1) is bonded to twelve equivalent Rh(1) atoms to form SrRh12 cuboctahedra that share corners with twelve equivalent Sr(1)Rh12 cuboctahedra, faces with six equivalent Sr(1)Rh12 cuboctahedra, and faces with eight equivalent Tl(1)Rh6 octahedra. There are a spread of Sr(1)-Rh(1) bond distances ranging from 3.40-3.73 Å. Rh(1) is bonded in a 2-coordinate geometry to four equivalent Sr(1) and two equivalent Tl(1) atoms. There is one shorter (2.41 Å) and one longer (2.64 Å) Rh(1)-Tl(1) bond length. Tl(1) is bonded to six equivalent Rh(1) atoms to form TlRh6 octahedra that share corners with six equivalent Tl(1)Rh6 octahedra and faces with eight equivalent Sr(1)Rh12 cuboctahedra. The corner-sharing octahedra are not tilted.