data_Tl2TeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2TeRh
_chemical_formula_sum   'Tl2 Te1 Rh1'
_cell_volume   97.17
_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  Tl2  1  0.65  0.65  0.65  1.0
  Tl  Tl3  1  0.82  0.82  0.82  1.0
  Te  Te1  1  0.47  0.47  0.47  1.0
  Rh  Rh0  1  0.0  0.0  0.0  1.0

data_Tl2TeRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tl2TeRh
_chemical_formula_sum   'Tl6 Te3 Rh3'
_cell_volume   291.5
_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  0.18  1.0
  Tl  Tl1  3  0.0  0.0  0.35  1.0
  Te  Te2  3  0.0  0.0  0.53  1.0
  Rh  Rh3  3  0.0  0.0  0.0  1.0

Tl Tl Te Rh
RhTl2Te crystallizes in the trigonal R3m space group. Rh(1) is bonded in a 4-coordinate geometry to one Tl(2) and three equivalent Tl(1) atoms. The Rh(1)-Tl(2) bond length is 2.22 Å. All Rh(1)-Tl(1) bond lengths are 2.99 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to three equivalent Rh(1), one Tl(2), and one Te(1) atom to form distorted TlTlTeRh3 trigonal bipyramids that share corners with six equivalent Tl(1)TlTeRh3 trigonal bipyramids and edges with three equivalent Tl(2)TlTe3Rh trigonal bipyramids. The Tl(1)-Tl(2) bond length is 2.22 Å. The Tl(1)-Te(1) bond length is 2.22 Å. In the second Tl site, Tl(2) is bonded to one Rh(1), one Tl(1), and three equivalent Te(1) atoms to form distorted TlTlTe3Rh trigonal bipyramids that share corners with six equivalent Tl(2)TlTe3Rh trigonal bipyramids and edges with three equivalent Tl(1)TlTeRh3 trigonal bipyramids. All Tl(2)-Te(1) bond lengths are 2.99 Å. Te(1) is bonded in a 4-coordinate geometry to one Tl(1) and three equivalent Tl(2) atoms.