data_Pd2RuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   121.35
_cell_angle_beta   121.35
_cell_angle_gamma   87.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2RuBr
_chemical_formula_sum   'Pd2 Ru1 Br1'
_cell_volume   64.9
_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
  Pd  Pd1  1  0.23  0.0  0.64  1.0
  Pd  Pd2  1  0.0  0.0  0.28  1.0
  Ru  Ru3  1  0.0  0.23  0.64  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Pd2RuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.54
_cell_angle_alpha   119.32
_cell_angle_beta   119.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2RuBr
_chemical_formula_sum   'Pd2 Ru1 Br1'
_cell_volume   64.9
_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
  Pd  Pd0  1  0.36  0.0  0.59  1.0
  Ru  Ru1  1  0.59  0.23  0.59  1.0
  Pd  Pd2  1  0.72  0.0  0.72  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Pd Pd Ru Br
Pd Pd Ru Br 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 
RuPd2Br crystallizes in the triclinic P1 space group. Ru(1) is bonded in a 4-coordinate geometry to one Pd(1), one Pd(2), and two equivalent Br(1) atoms. The Ru(1)-Pd(1) bond length is 1.42 Å. The Ru(1)-Pd(2) bond length is 1.41 Å. There is one shorter (2.34 Å) and one longer (3.01 Å) Ru(1)-Br(1) bond length. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 4-coordinate geometry to one Ru(1), one Pd(2), and two equivalent Br(1) atoms. The Pd(1)-Pd(2) bond length is 1.41 Å. There is one shorter (2.34 Å) and one longer (3.01 Å) Pd(1)-Br(1) bond length. In the second Pd site, Pd(2) is bonded in a single-bond geometry to one Ru(1), one Pd(1), and one Br(1) atom. The Pd(2)-Br(1) bond length is 1.26 Å. Br(1) is bonded in a distorted single-bond geometry to two equivalent Ru(1), one Pd(2), and two equivalent Pd(1) atoms.