data_TcPd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPd5
_chemical_formula_sum   'Tc1 Pd5'
_cell_volume   97.99
_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  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.57  0.57  0.74  1.0
  Pd  Pd1  1  0.49  0.49  0.49  1.0
  Pd  Pd2  1  0.74  0.57  0.57  1.0
  Pd  Pd3  1  0.74  0.74  0.74  1.0
  Pd  Pd4  1  0.57  0.74  0.57  1.0

data_TcPd5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TcPd5
_chemical_formula_sum   'Tc3 Pd15'
_cell_volume   293.97
_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
  Pd  Pd1  9  0.06  0.11  0.37  1.0
  Pd  Pd2  3  0.0  0.0  0.26  1.0
  Pd  Pd3  3  0.0  0.0  0.51  1.0

Tc Pd Pd Pd Pd Pd
TcPd5 crystallizes in the trigonal R3m space group. Tc(1) is bonded in a 7-coordinate geometry to four equivalent Pd(3) and six equivalent Pd(1) atoms. There are three shorter (3.15 Å) and one longer (3.24 Å) Tc(1)-Pd(3) bond length. All Tc(1)-Pd(1) bond lengths are 2.81 Å. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 2-coordinate geometry to two equivalent Tc(1), one Pd(2), one Pd(3), and two equivalent Pd(1) atoms. The Pd(1)-Pd(2) bond length is 1.87 Å. The Pd(1)-Pd(3) bond length is 1.53 Å. Both Pd(1)-Pd(1) bond lengths are 0.88 Å. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to three equivalent Pd(1) and three equivalent Pd(3) atoms. All Pd(2)-Pd(3) bond lengths are 3.14 Å. In the third Pd site, Pd(3) is bonded in a 10-coordinate geometry to four equivalent Tc(1), three equivalent Pd(1), and three equivalent Pd(2) atoms.