data_AcTl2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcTl2Rh
_chemical_formula_sum   'Ac1 Tl2 Rh1'
_cell_volume   98.03
_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
  Ac  Ac0  1  0.66  0.66  0.66  1.0
  Tl  Tl2  1  0.83  0.83  0.83  1.0
  Tl  Tl3  1  0.49  0.49  0.49  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_AcTl2Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AcTl2Rh
_chemical_formula_sum   'Ac3 Tl6 Rh3'
_cell_volume   294.09
_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
  Ac  Ac0  3  0.0  0.0  0.34  1.0
  Tl  Tl1  3  0.0  0.0  0.17  1.0
  Tl  Tl2  3  0.0  0.0  0.51  1.0
  Rh  Rh3  3  0.0  0.0  0.0  1.0

Ac Tl Tl Rh
Ac Tl Tl Rh 0 2 o o o 0 1 o o o 1 3 + + + 
AcRhTl2 crystallizes in the trigonal R3m space group. Ac(1) is bonded to three equivalent Rh(1), one Tl(1), and one Tl(2) atom to form distorted AcTl2Rh3 trigonal bipyramids that share corners with six equivalent Ac(1)Tl2Rh3 trigonal bipyramids and  a cornercorner with one Rh(1)Ac3Tl trigonal pyramid. All Ac(1)-Rh(1) bond lengths are 2.99 Å. The Ac(1)-Tl(1) bond length is 2.16 Å. The Ac(1)-Tl(2) bond length is 2.16 Å. Rh(1) is bonded to three equivalent Ac(1) and one Tl(1) atom to form distorted RhAc3Tl trigonal pyramids that share  a cornercorner with one Ac(1)Tl2Rh3 trigonal bipyramid and corners with six equivalent Rh(1)Ac3Tl trigonal pyramids. The Rh(1)-Tl(1) bond length is 2.16 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a linear geometry to one Ac(1) and one Rh(1) atom. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Ac(1) atom.