data_TcRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   4.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcRh2
_chemical_formula_sum   'Tc1 Rh2'
_cell_volume   50.86
_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  Tc2  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.41  0.41  0.41  1.0
  Rh  Rh1  1  0.47  0.47  0.47  1.0

data_TcRh2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   10.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TcRh2
_chemical_formula_sum   'Tc3 Rh6'
_cell_volume   152.57
_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  0.0  1.0
  Rh  Rh1  3  0.0  0.0  0.53  1.0
  Rh  Rh2  3  0.0  0.0  0.59  1.0

Tc Rh Rh
Tc Rh Rh 0 2 - - o 0 2 - o - 0 2 - o o 0 2 o - - 0 2 o - o 0 2 o o - 0 1 - o o 0 1 o - o 0 1 o o - 1 2 o o o 
TcRh2 crystallizes in the trigonal R3m space group. Tc(1) is bonded in a 6-coordinate geometry to three equivalent Rh(1) and three equivalent Rh(2) atoms. All Tc(1)-Rh(1) bond lengths are 2.53 Å. All Tc(1)-Rh(2) bond lengths are 3.12 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to three equivalent Tc(1) and one Rh(2) atom to form distorted corner-sharing RhTc3Rh tetrahedra. The Rh(1)-Rh(2) bond length is 0.60 Å. In the second Rh site, Rh(2) is bonded in a single-bond geometry to three equivalent Tc(1) and one Rh(1) atom.