data_KPd2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91
_cell_length_b   4.91
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   96.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPd2Br
_chemical_formula_sum   'K1 Pd2 Br1'
_cell_volume   95.72
_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
  K  K1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.4  0.46  0.41  1.0
  Pd  Pd3  1  0.92  0.46  0.58  1.0
  Br  Br0  1  0.66  0.0  0.5  1.0

data_KPd2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.91
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   96.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPd2Br
_chemical_formula_sum   'K1 Pd2 Br1'
_cell_volume   95.72
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.4  0.46  0.41  1.0
  Pd  Pd2  1  0.92  0.46  0.58  1.0
  Br  Br3  1  0.66  0.0  0.5  1.0

K Pd Pd Br
KPd2Br crystallizes in the triclinic P1 space group. K(1) is bonded in a 2-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), and four equivalent Br(1) atoms. There is one shorter (3.30 Å) and one longer (3.62 Å) K(1)-Pd(1) bond length. There is one shorter (3.05 Å) and one longer (3.39 Å) K(1)-Pd(2) bond length. There are a spread of K(1)-Br(1) bond distances ranging from 2.72-3.83 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Pd(2), and two equivalent Br(1) atoms. There is one shorter (2.13 Å) and one longer (2.16 Å) Pd(1)-Pd(2) bond length. There is one shorter (2.47 Å) and one longer (2.88 Å) Pd(1)-Br(1) bond length. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Pd(1), and two equivalent Br(1) atoms. There is one shorter (2.47 Å) and one longer (2.88 Å) Pd(2)-Br(1) bond length. Br(1) is bonded in a 8-coordinate geometry to four equivalent K(1), two equivalent Pd(1), and two equivalent Pd(2) atoms.