data_TaSi4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSi4Rh
_chemical_formula_sum   'Ta1 Si4 Rh1'
_cell_volume   83.36
_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
  Ta  Ta5  1  0.2  0.2  0.2  1.0
  Si  Si1  1  0.34  0.34  0.6  1.0
  Si  Si2  1  0.34  0.6  0.34  1.0
  Si  Si3  1  0.6  0.34  0.34  1.0
  Si  Si4  1  0.6  0.6  0.6  1.0
  Rh  Rh0  1  0.0  0.0  0.0  1.0

data_TaSi4Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   12.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaSi4Rh
_chemical_formula_sum   'Ta3 Si12 Rh3'
_cell_volume   250.07
_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
  Ta  Ta0  3  0.0  0.0  0.8  1.0
  Si  Si1  9  0.09  0.17  0.58  1.0
  Si  Si2  3  0.0  0.0  0.4  1.0
  Rh  Rh3  3  0.0  0.0  0.0  1.0

Ta Si Si Si Si Rh
Ta Si Si Si Si Rh 0 5 o o o 0 2 o - o 0 2 o o o 0 3 - o o 0 3 o o o 0 4 - o o 0 4 o - o 0 4 o o - 0 1 o o - 0 1 o o o 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o + 2 3 o o o 2 4 o o o 2 5 o + o 3 4 o o o 3 5 + o o 
TaRhSi4 crystallizes in the trigonal R3m space group. Ta(1) is bonded in a 4-coordinate geometry to four equivalent Rh(1), three equivalent Si(1), and three equivalent Si(2) atoms. There is one shorter (2.41 Å) and three longer (3.25 Å) Ta(1)-Rh(1) bond lengths. All Ta(1)-Si(1) bond lengths are 2.48 Å. All Ta(1)-Si(2) bond lengths are 2.93 Å. Rh(1) is bonded in a 10-coordinate geometry to four equivalent Ta(1), three equivalent Si(1), and three equivalent Si(2) atoms. All Rh(1)-Si(1) bond lengths are 2.36 Å. All Rh(1)-Si(2) bond lengths are 2.95 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to one Ta(1), one Rh(1), one Si(2), and two equivalent Si(1) atoms. The Si(1)-Si(2) bond length is 2.20 Å. Both Si(1)-Si(1) bond lengths are 1.27 Å. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Ta(1), three equivalent Rh(1), and three equivalent Si(1) atoms.