data_TaMo4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo4Rh
_chemical_formula_sum   'Ta1 Mo4 Rh1'
_cell_volume   99.89
_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  0.84  0.84  0.84  1.0
  Mo  Mo0  1  0.77  0.77  0.59  1.0
  Mo  Mo1  1  0.77  0.59  0.77  1.0
  Mo  Mo2  1  0.59  0.77  0.77  1.0
  Mo  Mo3  1  0.59  0.59  0.59  1.0
  Rh  Rh4  1  0.0  0.0  0.0  1.0

data_TaMo4Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaMo4Rh
_chemical_formula_sum   'Ta3 Mo12 Rh3'
_cell_volume   299.66
_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  0.16  1.0
  Mo  Mo1  9  0.12  0.06  0.29  1.0
  Mo  Mo2  3  0.0  0.0  0.41  1.0
  Rh  Rh3  3  0.0  0.0  0.0  1.0

Ta Mo Mo Mo Mo Rh
Ta Mo Mo Mo Mo Rh 0 3 o o o 0 2 o o o 0 1 o o o 0 5 + + + 1 2 o o o 1 3 o o o 1 4 o o o 1 5 + + o 2 3 o o o 2 4 o o o 2 5 + o + 3 4 o o o 3 5 o + + 
TaMo4Rh crystallizes in the trigonal R3m space group. Ta(1) is bonded in a 4-coordinate geometry to three equivalent Mo(1), three equivalent Mo(2), and one Rh(1) atom. All Ta(1)-Mo(1) bond lengths are 1.73 Å. All Ta(1)-Mo(2) bond lengths are 3.20 Å. The Ta(1)-Rh(1) bond length is 2.02 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one Ta(1), one Mo(2), two equivalent Mo(1), and one Rh(1) atom. The Mo(1)-Mo(2) bond length is 1.62 Å. Both Mo(1)-Mo(1) bond lengths are 0.93 Å. The Mo(1)-Rh(1) bond length is 2.54 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to three equivalent Ta(1) and three equivalent Mo(1) atoms. Rh(1) is bonded in a distorted single-bond geometry to one Ta(1) and three equivalent Mo(1) atoms.