data_TcPd2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPd2Br
_chemical_formula_sum   'Tc1 Pd2 Br1'
_cell_volume   68.39
_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  Tc3  1  0.46  0.46  0.0  1.0
  Pd  Pd1  1  0.0  0.46  0.41  1.0
  Pd  Pd2  1  0.46  0.0  0.41  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_TcPd2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.97
_cell_length_b   6.97
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcPd2Br
_chemical_formula_sum   'Tc2 Pd4 Br2'
_cell_volume   136.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.46  0.0  0.0  1.0
  Pd  Pd1  4  0.23  0.23  0.41  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

Tc Pd Pd Br
Tc Pd Pd Br 0 3 o o o 0 1 o o - 0 1 o o o 0 1 + o - 0 1 + o o 0 2 o o - 0 2 o o o 0 2 o + - 0 2 o + o 0 0 o o + 1 3 o o o 1 3 o o + 1 3 o + o 1 3 o + + 1 2 o o o 1 1 o o + 2 3 o o o 2 3 o o + 2 3 + o o 2 3 + o + 2 2 o o + 3 3 o o + 
TcPd2Br crystallizes in the monoclinic Cm space group. Tc(1) is bonded in a 11-coordinate geometry to two equivalent Tc(1), eight equivalent Pd(1), and one Br(1) atom. Both Tc(1)-Tc(1) bond lengths are 2.82 Å. There are a spread of Tc(1)-Pd(1) bond distances ranging from 2.56-3.13 Å. The Tc(1)-Br(1) bond length is 3.22 Å. Pd(1) is bonded in a 10-coordinate geometry to four equivalent Tc(1), two equivalent Pd(1), and four equivalent Br(1) atoms. Both Pd(1)-Pd(1) bond lengths are 2.82 Å. There are a spread of Pd(1)-Br(1) bond distances ranging from 2.56-3.13 Å. Br(1) is bonded in a 8-coordinate geometry to one Tc(1) and eight equivalent Pd(1) atoms.