data_KPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   152.78
_cell_angle_beta   129.41
_cell_angle_gamma   58.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPd3
_chemical_formula_sum   'K1 Pd3'
_cell_volume   76.5
_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  0.0  0.57  0.34  1.0
  Pd  Pd2  1  0.0  0.0  0.25  1.0
  Pd  Pd3  1  0.42  0.0  0.92  1.0

data_KPd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.14
_cell_length_c   6.02
_cell_angle_alpha   115.29
_cell_angle_beta   103.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPd3
_chemical_formula_sum   'K1 Pd3'
_cell_volume   76.5
_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  0.5  0.08  0.5  1.0
  Pd  Pd2  1  0.66  0.24  0.24  1.0
  Pd  Pd3  1  0.75  0.75  0.75  1.0

K Pd Pd Pd
KPd3 crystallizes in the triclinic P1 space group. K(1) is bonded in a 3-coordinate geometry to one Pd(2), two equivalent Pd(1), and two equivalent Pd(3) atoms. The K(1)-Pd(2) bond length is 1.52 Å. There is one shorter (1.88 Å) and one longer (2.07 Å) K(1)-Pd(1) bond length. There is one shorter (2.84 Å) and one longer (3.22 Å) K(1)-Pd(3) bond length. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted L-shaped geometry to two equivalent K(1) and two equivalent Pd(3) atoms. There is one shorter (2.18 Å) and one longer (2.83 Å) Pd(1)-Pd(3) bond length. In the second Pd site, Pd(2) is bonded in a single-bond geometry to one K(1) and two equivalent Pd(3) atoms. There is one shorter (2.72 Å) and one longer (3.09 Å) Pd(2)-Pd(3) bond length. In the third Pd site, Pd(3) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent Pd(1), two equivalent Pd(2), and two equivalent Pd(3) atoms. Both Pd(3)-Pd(3) bond lengths are 2.83 Å.