data_TlFeBiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFeBiRh
_chemical_formula_sum   'Tl1 Fe1 Bi1 Rh1'
_cell_volume   82.28
_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  0.73  0.73  0.73  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.45  0.45  0.45  1.0
  Rh  Rh2  1  0.18  0.18  0.18  1.0

data_TlFeBiRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   11.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlFeBiRh
_chemical_formula_sum   'Tl3 Fe3 Bi3 Rh3'
_cell_volume   246.85
_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  0.27  1.0
  Fe  Fe1  3  0.0  0.0  0.0  1.0
  Bi  Bi2  3  0.0  0.0  0.55  1.0
  Rh  Rh3  3  0.0  0.0  0.82  1.0

Tl Fe Bi Rh
FeRhTlBi crystallizes in the trigonal R3m space group. Fe(1) is bonded in a distorted single-bond geometry to one Rh(1), four equivalent Tl(1), and three equivalent Bi(1) atoms. The Fe(1)-Rh(1) bond length is 2.13 Å. There are three shorter (2.91 Å) and one longer (3.28 Å) Fe(1)-Tl(1) bond length. All Fe(1)-Bi(1) bond lengths are 3.16 Å. Rh(1) is bonded in a distorted single-bond geometry to one Fe(1), three equivalent Tl(1), and four equivalent Bi(1) atoms. All Rh(1)-Tl(1) bond lengths are 3.16 Å. There are three shorter (2.91 Å) and one longer (3.28 Å) Rh(1)-Bi(1) bond length. Tl(1) is bonded in a 11-coordinate geometry to four equivalent Fe(1), three equivalent Rh(1), and four equivalent Bi(1) atoms. There are three shorter (2.91 Å) and one longer (3.28 Å) Tl(1)-Bi(1) bond length. Bi(1) is bonded in a 11-coordinate geometry to three equivalent Fe(1), four equivalent Rh(1), and four equivalent Tl(1) atoms.