data_KCr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   7.15
_cell_angle_alpha   98.46
_cell_angle_beta   98.46
_cell_angle_gamma   37.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr2Pd
_chemical_formula_sum   'K1 Cr2 Pd1'
_cell_volume   85.17
_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  0.67  0.0  0.42  1.0
  Cr  Cr0  1  0.27  0.0  0.82  1.0
  Cr  Cr1  1  0.59  0.0  0.3  1.0
  Pd  Pd3  1  0.92  0.0  0.12  1.0

data_KCr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.48
_cell_length_c   7.15
_cell_angle_alpha   98.46
_cell_angle_beta   90.0
_cell_angle_gamma   108.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr2Pd
_chemical_formula_sum   'K1 Cr2 Pd1'
_cell_volume   85.17
_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  0.33  0.58  1.0
  Cr  Cr1  1  0.0  0.41  0.7  1.0
  Cr  Cr2  1  0.0  0.73  0.18  1.0
  Pd  Pd3  1  0.0  0.08  0.88  1.0

K Cr Cr Pd
K Cr Cr Pd 0 2 o o o 1 1 + - o 1 3 - o + 1 3 o o + 2 3 o o o 
KCr2Pd crystallizes in the triclinic P1 space group. K(1) is bonded in a single-bond geometry to one Cr(2) and two equivalent Cr(1) atoms. The K(1)-Cr(2) bond length is 0.90 Å. There is one shorter (3.56 Å) and one longer (3.61 Å) K(1)-Cr(1) bond length. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Cr(1), and two equivalent Pd(1) atoms. Both Cr(1)-Cr(1) bond lengths are 2.84 Å. There is one shorter (2.82 Å) and one longer (3.35 Å) Cr(1)-Pd(1) bond length. In the second Cr site, Cr(2) is bonded in a distorted single-bond geometry to one K(1) and one Pd(1) atom. The Cr(2)-Pd(1) bond length is 2.10 Å. Pd(1) is bonded in a 1-coordinate geometry to one Cr(2) and two equivalent Cr(1) atoms.