data_K2PdO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   6.84
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   107.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2PdO4
_chemical_formula_sum   'K4 Pd2 O8'
_cell_volume   259.05
_cell_formula_units_Z   2
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  0.83  0.05  0.78  1.0
  K  K1  1  0.31  0.47  0.66  1.0
  K  K2  1  0.41  0.79  0.18  1.0
  K  K3  1  0.93  0.37  0.3  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pd  Pd5  1  0.9  0.42  0.48  1.0
  O  O6  1  0.3  0.37  0.82  1.0
  O  O7  1  0.04  0.96  0.66  1.0
  O  O8  1  0.94  0.46  0.14  1.0
  O  O9  1  0.2  0.88  0.3  1.0
  O  O10  1  0.49  0.19  0.04  1.0
  O  O11  1  0.85  0.61  0.44  1.0
  O  O12  1  0.75  0.65  0.92  1.0
  O  O13  1  0.39  0.23  0.52  1.0

data_K2PdO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.44
_cell_length_b   6.84
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   107.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2PdO4
_chemical_formula_sum   'K4 Pd2 O8'
_cell_volume   259.05
_cell_formula_units_Z   2
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  0.31  0.47  0.66  1.0
  K  K1  1  0.41  0.79  0.18  1.0
  K  K2  1  0.83  0.05  0.78  1.0
  K  K3  1  0.93  0.37  0.3  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pd  Pd5  1  0.9  0.42  0.48  1.0
  O  O6  1  0.04  0.96  0.66  1.0
  O  O7  1  0.2  0.88  0.3  1.0
  O  O8  1  0.3  0.37  0.82  1.0
  O  O9  1  0.39  0.23  0.52  1.0
  O  O10  1  0.49  0.19  0.04  1.0
  O  O11  1  0.75  0.65  0.92  1.0
  O  O12  1  0.85  0.61  0.44  1.0
  O  O13  1  0.94  0.46  0.14  1.0

K K K K Pd Pd O O O O O O O O
K K K K Pd Pd O O O O O O O O 0 7 + - o 0 4 + o + 1 6 o o o 1 13 o o o 2 9 o o o 3 5 o o o 3 8 o o o 5 11 o o o 6 10 o o + 8 12 o o - 
K2PdO4 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a distorted water-like geometry to one Pd(1), one O(2), one O(5), one O(7), and one O(8) atom. The K(1)-Pd(1) bond length is 1.61 Å. The K(1)-O(2) bond length is 1.76 Å. The K(1)-O(5) bond length is 3.16 Å. The K(1)-O(7) bond length is 3.01 Å. The K(1)-O(8) bond length is 2.86 Å. In the second K site, K(2) is bonded in a 1-coordinate geometry to one Pd(2), one O(1), one O(7), and one O(8) atom. The K(2)-Pd(2) bond length is 2.25 Å. The K(2)-O(1) bond length is 1.33 Å. The K(2)-O(7) bond length is 2.86 Å. The K(2)-O(8) bond length is 2.03 Å. In the third K site, K(3) is bonded in a distorted single-bond geometry to one O(4), one O(5), and one O(7) atom. The K(3)-O(4) bond length is 1.76 Å. The K(3)-O(5) bond length is 3.01 Å. The K(3)-O(7) bond length is 3.16 Å. In the fourth K site, K(4) is bonded in a 2-coordinate geometry to one Pd(2), one O(3), one O(5), and one O(8) atom. The K(4)-Pd(2) bond length is 1.43 Å. The K(4)-O(3) bond length is 1.33 Å. The K(4)-O(5) bond length is 2.86 Å. The K(4)-O(8) bond length is 2.70 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted single-bond geometry to one K(1), one O(4), and one O(7) atom. The Pd(1)-O(4) bond length is 2.32 Å. The Pd(1)-O(7) bond length is 2.73 Å. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to one K(2), one K(4), and one O(6) atom. The Pd(2)-O(6) bond length is 1.32 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one K(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one K(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one K(4) and one O(7) atom. The O(3)-O(7) bond length is 2.06 Å. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(3) and one Pd(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one K(4) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Pd(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one Pd(1), and one O(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one K(4) atom.