data_KMgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   152.03
_cell_angle_beta   130.89
_cell_angle_gamma   57.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgPd2
_chemical_formula_sum   'K1 Mg1 Pd2'
_cell_volume   84.46
_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  0.5  0.0  0.38  1.0
  Mg  Mg1  1  0.0  0.0  0.61  1.0
  Pd  Pd2  1  0.0  0.58  0.44  1.0
  Pd  Pd3  1  0.0  0.0  0.36  1.0

data_KMgPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.16
_cell_length_c   6.21
_cell_angle_alpha   114.55
_cell_angle_beta   103.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgPd2
_chemical_formula_sum   'K1 Mg1 Pd2'
_cell_volume   84.46
_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  0.12  0.62  0.12  1.0
  Mg  Mg1  1  0.39  0.39  0.39  1.0
  Pd  Pd2  1  0.56  0.15  0.15  1.0
  Pd  Pd3  1  0.64  0.64  0.64  1.0

K Mg Pd Pd
K Mg Pd Pd 0 2 o - - 0 2 o o o 0 2 + - o 0 2 + o + 0 0 o + + 0 3 o o o 0 3 + o o 0 1 + o o 1 2 o - o 1 3 o o o 
KMgPd2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 6-coordinate geometry to one Mg(1), one Pd(2), and four equivalent Pd(1) atoms. The K(1)-Mg(1) bond length is 2.42 Å. The K(1)-Pd(2) bond length is 3.04 Å. There are a spread of K(1)-Pd(1) bond distances ranging from 2.83-3.16 Å. Mg(1) is bonded in a 2-coordinate geometry to one K(1), one Pd(1), and one Pd(2) atom. The Mg(1)-Pd(1) bond length is 1.72 Å. The Mg(1)-Pd(2) bond length is 1.55 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Mg(1) atom. In the second Pd site, Pd(2) is bonded in a distorted single-bond geometry to one K(1) and one Mg(1) atom.