data_TcMoRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcMoRh4
_chemical_formula_sum   'Tc1 Mo1 Rh4'
_cell_volume   90.5
_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
  Tc  Tc5  1  0.78  0.78  0.78  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.67  0.45  0.67  1.0
  Rh  Rh2  1  0.45  0.67  0.67  1.0
  Rh  Rh3  1  0.45  0.45  0.45  1.0
  Rh  Rh4  1  0.67  0.67  0.45  1.0

data_TcMoRh4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   12.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TcMoRh4
_chemical_formula_sum   'Tc3 Mo3 Rh12'
_cell_volume   271.51
_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
  Tc  Tc0  3  0.0  0.0  0.22  1.0
  Mo  Mo1  3  0.0  0.0  0.0  1.0
  Rh  Rh2  9  0.15  0.07  0.4  1.0
  Rh  Rh3  3  0.0  0.0  0.55  1.0

Tc Mo Rh Rh Rh Rh
Tc Mo Rh Rh Rh Rh 0 5 o o o 0 3 o o o 0 2 o o o 0 4 o o + 0 4 o + o 0 4 + o o 0 1 + + + 1 5 - - o 1 2 - o - 1 3 o - - 2 3 o o o 2 5 o o o 2 4 o o o 3 5 o o o 3 4 o o o 4 5 o o o 
MoTcRh4 crystallizes in the trigonal R3m space group. Mo(1) is bonded in a 4-coordinate geometry to four equivalent Tc(1), three equivalent Rh(1), and three equivalent Rh(2) atoms. There is one shorter (2.69 Å) and three longer (3.24 Å) Mo(1)-Tc(1) bond lengths. All Mo(1)-Rh(1) bond lengths are 2.41 Å. All Mo(1)-Rh(2) bond lengths are 3.27 Å. Tc(1) is bonded in a 13-coordinate geometry to four equivalent Mo(1), three equivalent Rh(2), and six equivalent Rh(1) atoms. All Tc(1)-Rh(2) bond lengths are 2.91 Å. There are three shorter (2.33 Å) and three longer (2.94 Å) Tc(1)-Rh(1) bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 9-coordinate geometry to three equivalent Mo(1), three equivalent Tc(1), and three equivalent Rh(1) atoms. All Rh(2)-Rh(1) bond lengths are 1.92 Å. In the second Rh site, Rh(1) is bonded in a 6-coordinate geometry to one Mo(1), two equivalent Tc(1), one Rh(2), and two equivalent Rh(1) atoms. Both Rh(1)-Rh(1) bond lengths are 1.11 Å.