data_Tb4Sb6Rh7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63
_cell_length_b   7.63
_cell_length_c   7.63
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4Sb6Rh7
_chemical_formula_sum   'Tb4 Sb6 Rh7'
_cell_volume   341.71
_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
  Tb  Tb0  1  0.2  0.2  0.8  1.0
  Tb  Tb1  1  0.2  0.8  0.2  1.0
  Tb  Tb2  1  0.8  0.2  0.2  1.0
  Tb  Tb3  1  0.2  0.2  0.2  1.0
  Sb  Sb4  1  0.0  0.0  0.01  1.0
  Sb  Sb5  1  0.0  0.8  0.0  1.0
  Sb  Sb6  1  0.8  0.0  0.0  1.0
  Sb  Sb7  1  0.0  0.0  0.8  1.0
  Sb  Sb8  1  0.0  0.01  0.0  1.0
  Sb  Sb9  1  0.01  0.0  0.0  1.0
  Rh  Rh10  1  0.0  0.0  0.0  1.0
  Rh  Rh11  1  0.0  0.4  0.2  1.0
  Rh  Rh12  1  0.0  0.2  0.4  1.0
  Rh  Rh13  1  0.2  0.4  0.0  1.0
  Rh  Rh14  1  0.4  0.2  0.0  1.0
  Rh  Rh15  1  0.4  0.0  0.2  1.0
  Rh  Rh16  1  0.2  0.0  0.4  1.0

data_Tb4Sb6Rh7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.46
_cell_length_b   12.46
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tb4Sb6Rh7
_chemical_formula_sum   'Tb12 Sb18 Rh21'
_cell_volume   1025.12
_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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Tb  Tb0  9  0.06  0.53  0.73  1.0
  Tb  Tb1  3  0.0  0.0  0.2  1.0
  Sb  Sb2  9  0.01  0.0  0.0  1.0
  Sb  Sb3  9  0.07  0.14  0.93  1.0
  Rh  Rh4  18  -0.0  0.2  0.2  1.0
  Rh  Rh5  3  0.0  0.0  -0.0  1.0

Tb Tb Tb Tb Sb Sb Sb Sb Sb Sb Rh Rh Rh Rh Rh Rh Rh
Tb4Rh7Sb6 crystallizes in the trigonal R3m space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 5-coordinate geometry to four equivalent Rh(2) and one Sb(2) atom. There are two shorter (1.78 Å) and two longer (2.88 Å) Tb(1)-Rh(2) bond lengths. The Tb(1)-Sb(2) bond length is 1.77 Å. In the second Tb site, Tb(2) is bonded in a 9-coordinate geometry to six equivalent Rh(2) and three equivalent Sb(1) atoms. All Tb(2)-Rh(2) bond lengths are 2.52 Å. All Tb(2)-Sb(1) bond lengths are 1.51 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a trigonal non-coplanar geometry to three equivalent Sb(1) atoms. All Rh(1)-Sb(1) bond lengths are 0.09 Å. In the second Rh site, Rh(2) is bonded in a distorted single-bond geometry to one Tb(2) and two equivalent Tb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Tb(2) and one Rh(1) atom. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Tb(1) atom.