data_KZrCrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrCrPd
_chemical_formula_sum   'K1 Zr1 Cr1 Pd1'
_cell_volume   83.87
_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  K1  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.74  0.74  0.74  1.0
  Cr  Cr0  1  0.47  0.47  0.47  1.0
  Pd  Pd2  1  0.21  0.21  0.21  1.0

data_KZrCrPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   12.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KZrCrPd
_chemical_formula_sum   'K3 Zr3 Cr3 Pd3'
_cell_volume   251.6
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Zr  Zr1  3  0.0  0.0  0.26  1.0
  Cr  Cr2  3  0.0  0.0  0.53  1.0
  Pd  Pd3  3  0.0  0.0  0.79  1.0

K Zr Cr Pd
KZrCrPd crystallizes in the trigonal R3m space group. K(1) is bonded in a distorted single-bond geometry to four equivalent Zr(1), six equivalent Cr(1), and one Pd(1) atom. There are three shorter (2.96 Å) and one longer (3.16 Å) K(1)-Zr(1) bond length. There are three shorter (3.30 Å) and three longer (3.66 Å) K(1)-Cr(1) bond lengths. The K(1)-Pd(1) bond length is 2.54 Å. Zr(1) is bonded in a 14-coordinate geometry to four equivalent K(1), four equivalent Cr(1), and six equivalent Pd(1) atoms. There are three shorter (2.96 Å) and one longer (3.16 Å) Zr(1)-Cr(1) bond length. There are three shorter (3.30 Å) and three longer (3.66 Å) Zr(1)-Pd(1) bond lengths. Cr(1) is bonded in a 14-coordinate geometry to six equivalent K(1), four equivalent Zr(1), and four equivalent Pd(1) atoms. There are three shorter (2.96 Å) and one longer (3.16 Å) Cr(1)-Pd(1) bond length. Pd(1) is bonded in a distorted single-bond geometry to one K(1), six equivalent Zr(1), and four equivalent Cr(1) atoms.