data_Tc5Pd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc5Pd3
_chemical_formula_sum   'Tc10 Pd6'
_cell_volume   248.43
_cell_formula_units_Z   2
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  Tc6  1  0.25  0.31  0.17  1.0
  Tc  Tc7  1  0.84  0.47  0.52  1.0
  Tc  Tc8  1  0.51  0.0  0.17  1.0
  Tc  Tc9  1  0.75  0.31  0.52  1.0
  Tc  Tc10  1  0.0  0.51  0.0  1.0
  Tc  Tc11  1  0.0  0.51  0.35  1.0
  Tc  Tc12  1  0.91  0.26  0.0  1.0
  Tc  Tc13  1  0.91  0.26  0.35  1.0
  Tc  Tc14  1  0.31  0.0  0.52  1.0
  Tc  Tc15  1  0.16  0.47  0.17  1.0
  Pd  Pd0  1  0.44  0.69  0.52  1.0
  Pd  Pd1  1  0.65  0.08  0.17  1.0
  Pd  Pd2  1  0.11  0.0  0.52  1.0
  Pd  Pd3  1  0.56  0.69  0.17  1.0
  Pd  Pd4  1  0.71  0.0  0.17  1.0
  Pd  Pd5  1  0.35  0.08  0.52  1.0

data_Tc5Pd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   7.82
_cell_length_c   7.82
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc5Pd3
_chemical_formula_sum   'Tc10 Pd6'
_cell_volume   248.43
_cell_formula_units_Z   2
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  Tc0  1  -0.0  0.91  0.26  1.0
  Tc  Tc1  1  -0.0  -0.0  0.51  1.0
  Tc  Tc2  1  0.17  0.16  0.47  1.0
  Tc  Tc3  1  0.17  0.25  0.31  1.0
  Tc  Tc4  1  0.17  0.51  0.0  1.0
  Tc  Tc5  1  0.35  -0.0  0.51  1.0
  Tc  Tc6  1  0.35  0.91  0.26  1.0
  Tc  Tc7  1  0.52  0.31  0.0  1.0
  Tc  Tc8  1  0.52  0.75  0.31  1.0
  Tc  Tc9  1  0.52  0.84  0.47  1.0
  Pd  Pd10  1  0.17  0.56  0.69  1.0
  Pd  Pd11  1  0.17  0.65  0.08  1.0
  Pd  Pd12  1  0.17  0.71  0.0  1.0
  Pd  Pd13  1  0.52  0.11  0.0  1.0
  Pd  Pd14  1  0.52  0.35  0.08  1.0
  Pd  Pd15  1  0.52  0.44  0.69  1.0

Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Pd Pd Pd Pd Pd Pd
Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Pd Pd Pd Pd Pd Pd 0 9 o o o 1 3 o o o 1 5 + o o 2 11 o o o 3 7 o o o 4 9 o o o 4 6 - o o 4 5 o o o 5 9 o o o 5 7 - o o 6 14 o o o 6 11 o o o 6 9 + o o 6 7 o o o 7 14 o o o 7 11 o o o 7 9 + o o 8 15 o o o 8 12 o o o 10 13 o o o 11 14 o o o 12 15 o o o 13 14 o + o 
Tc5Pd3 crystallizes in the triclinic P1 space group. There are ten inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 4-coordinate geometry to one Tc(10), one Pd(3), one Pd(4), and one Pd(6) atom. The Tc(1)-Tc(10) bond length is 1.70 Å. The Tc(1)-Pd(3) bond length is 2.64 Å. The Tc(1)-Pd(4) bond length is 2.78 Å. The Tc(1)-Pd(6) bond length is 2.84 Å. In the second Tc site, Tc(2) is bonded in a distorted water-like geometry to one Tc(4), one Tc(5), and one Tc(6) atom. The Tc(2)-Tc(4) bond length is 1.08 Å. The Tc(2)-Tc(5) bond length is 2.50 Å. The Tc(2)-Tc(6) bond length is 1.35 Å. In the third Tc site, Tc(3) is bonded in a single-bond geometry to one Pd(1), one Pd(2), and one Pd(4) atom. The Tc(3)-Pd(1) bond length is 2.72 Å. The Tc(3)-Pd(2) bond length is 0.93 Å. The Tc(3)-Pd(4) bond length is 2.59 Å. In the fourth Tc site, Tc(4) is bonded in a 4-coordinate geometry to one Tc(2), one Tc(8), one Pd(2), and one Pd(6) atom. The Tc(4)-Tc(8) bond length is 1.66 Å. The Tc(4)-Pd(2) bond length is 2.25 Å. The Tc(4)-Pd(6) bond length is 2.72 Å. In the fifth Tc site, Tc(5) is bonded in a distorted rectangular see-saw-like geometry to one Tc(10), one Tc(2), one Tc(6), and one Tc(7) atom. The Tc(5)-Tc(10) bond length is 1.66 Å. The Tc(5)-Tc(6) bond length is 1.62 Å. The Tc(5)-Tc(7) bond length is 1.77 Å. In the sixth Tc site, Tc(6) is bonded in a 4-coordinate geometry to one Tc(10), one Tc(2), one Tc(5), and one Tc(8) atom. The Tc(6)-Tc(10) bond length is 1.66 Å. The Tc(6)-Tc(8) bond length is 1.77 Å. In the seventh Tc site, Tc(7) is bonded in a 4-coordinate geometry to one Tc(10), one Tc(5), one Tc(8), one Pd(2), and one Pd(5) atom. The Tc(7)-Tc(10) bond length is 1.97 Å. The Tc(7)-Tc(8) bond length is 1.62 Å. The Tc(7)-Pd(2) bond length is 2.00 Å. The Tc(7)-Pd(5) bond length is 2.00 Å. In the eighth Tc site, Tc(8) is bonded in a 5-coordinate geometry to one Tc(10), one Tc(4), one Tc(6), one Tc(7), one Pd(2), and one Pd(5) atom. The Tc(8)-Tc(10) bond length is 1.97 Å. The Tc(8)-Pd(2) bond length is 2.00 Å. The Tc(8)-Pd(5) bond length is 2.00 Å. In the ninth Tc site, Tc(9) is bonded in a single-bond geometry to one Pd(1), one Pd(3), and one Pd(6) atom. The Tc(9)-Pd(1) bond length is 3.05 Å. The Tc(9)-Pd(3) bond length is 1.56 Å. The Tc(9)-Pd(6) bond length is 0.53 Å. In the tenth Tc site, Tc(10) is bonded in a 7-coordinate geometry to one Tc(1), one Tc(5), one Tc(6), one Tc(7), one Tc(8), one Pd(1), and one Pd(4) atom. The Tc(10)-Pd(1) bond length is 2.63 Å. The Tc(10)-Pd(4) bond length is 2.72 Å. There are six inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 4-coordinate geometry to one Tc(10), one Tc(3), one Tc(9), and two equivalent Pd(4) atoms. There is one shorter (1.84 Å) and one longer (3.19 Å) Pd(1)-Pd(4) bond length. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to one Tc(3), one Tc(4), one Tc(7), one Tc(8), and one Pd(5) atom. The Pd(2)-Pd(5) bond length is 0.95 Å. In the third Pd site, Pd(3) is bonded in a 1-coordinate geometry to one Tc(1) and one Tc(9) atom. In the fourth Pd site, Pd(4) is bonded in a 6-coordinate geometry to one Tc(1), one Tc(10), one Tc(3), one Pd(5), and two equivalent Pd(1) atoms. The Pd(4)-Pd(5) bond length is 2.07 Å. In the fifth Pd site, Pd(5) is bonded in a distorted single-bond geometry to one Tc(7), one Tc(8), one Pd(2), and one Pd(4) atom. In the sixth Pd site, Pd(6) is bonded in a single-bond geometry to one Tc(1), one Tc(4), and one Tc(9) atom.