data_KCr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.33
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr2Pd
_chemical_formula_sum   'K1 Cr2 Pd1'
_cell_volume   85.88
_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  K2  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.4  0.17  0.44  1.0
  Cr  Cr1  1  0.4  0.17  0.62  1.0
  Pd  Pd3  1  0.0  0.0  0.53  1.0

data_KCr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.33
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr2Pd
_chemical_formula_sum   'K1 Cr2 Pd1'
_cell_volume   85.88
_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
  Cr  Cr1  1  0.4  0.17  0.44  1.0
  Cr  Cr2  1  0.4  0.17  0.62  1.0
  Pd  Pd3  1  0.0  0.0  0.53  1.0

K Cr Cr Pd
K Cr Cr Pd 0 2 - o - 0 2 o o - 0 0 + o o 0 3 o o - 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
KCr2Pd crystallizes in the triclinic P1 space group. K(1) is bonded in a 10-coordinate geometry to four equivalent K(1), two equivalent Cr(1), two equivalent Cr(2), and two equivalent Pd(1) atoms. There are two shorter (2.81 Å) and two longer (4.33 Å) K(1)-K(1) bond lengths. There is one shorter (3.35 Å) and one longer (3.57 Å) K(1)-Cr(1) bond length. There is one shorter (3.01 Å) and one longer (3.25 Å) K(1)-Cr(2) bond length. There is one shorter (3.34 Å) and one longer (3.72 Å) K(1)-Pd(1) bond length. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to two equivalent K(1), one Cr(2), and two equivalent Pd(1) atoms. The Cr(1)-Cr(2) bond length is 1.29 Å. There is one shorter (1.49 Å) and one longer (1.93 Å) Cr(1)-Pd(1) bond length. In the second Cr site, Cr(2) is bonded in a 3-coordinate geometry to two equivalent K(1), one Cr(1), and two equivalent Pd(1) atoms. There is one shorter (1.49 Å) and one longer (1.93 Å) Cr(2)-Pd(1) bond length. Pd(1) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent Cr(1), and two equivalent Cr(2) atoms.