data_RePdBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   7.52
_cell_length_c   7.52
_cell_angle_alpha   25.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePdBr2
_chemical_formula_sum   'Re1 Pd1 Br2'
_cell_volume   85.51
_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
  Re  Re3  1  0.77  0.0  0.51  1.0
  Pd  Pd2  1  0.0  0.0  0.63  1.0
  Br  Br0  1  0.0  0.0  0.27  1.0
  Br  Br1  1  0.77  0.0  0.55  1.0

data_RePdBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.54
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   102.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePdBr2
_chemical_formula_sum   'Re1 Pd1 Br2'
_cell_volume   85.51
_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
  Re  Re0  1  0.49  0.77  0.49  1.0
  Pd  Pd1  1  0.37  0.0  0.37  1.0
  Br  Br2  1  0.45  0.77  0.45  1.0
  Br  Br3  1  0.73  0.0  0.73  1.0

Re Pd Br Br
Re Pd Br Br 0 3 o o o 0 2 + o o 1 3 - o o 2 3 - o o 
RePdBr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one RePdBr2 cluster. Re(1) is bonded in a single-bond geometry to one Br(1) and one Br(2) atom. The Re(1)-Br(1) bond length is 1.96 Å. The Re(1)-Br(2) bond length is 0.33 Å. Pd(1) is bonded in a single-bond geometry to one Br(2) atom. The Pd(1)-Br(2) bond length is 0.99 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Re(1) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Re(1) and one Pd(1) atom.