data_CrPd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPd2Cl
_chemical_formula_sum   'Cr1 Pd2 Cl1'
_cell_volume   66.15
_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
  Cr  Cr1  1  0.6  0.6  0.6  1.0
  Pd  Pd2  1  0.21  0.21  0.21  1.0
  Pd  Pd3  1  0.81  0.81  0.81  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CrPd2Cl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrPd2Cl
_chemical_formula_sum   'Cr3 Pd6 Cl3'
_cell_volume   198.45
_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
  Cr  Cr0  3  0.0  0.0  0.4  1.0
  Pd  Pd1  3  0.0  0.0  0.19  1.0
  Pd  Pd2  3  0.0  0.0  0.79  1.0
  Cl  Cl3  3  0.0  0.0  0.0  1.0

Cr Pd Pd Cl
CrPd2Cl crystallizes in the trigonal R3m space group. Cr(1) is bonded in a 10-coordinate geometry to three equivalent Pd(1), four equivalent Pd(2), and three equivalent Cl(1) atoms. All Cr(1)-Pd(1) bond lengths are 2.71 Å. There is one shorter (2.33 Å) and three longer (2.96 Å) Cr(1)-Pd(2) bond lengths. All Cr(1)-Cl(1) bond lengths are 2.71 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 1-coordinate geometry to three equivalent Cr(1) and one Cl(1) atom. The Pd(1)-Cl(1) bond length is 2.33 Å. In the second Pd site, Pd(2) is bonded in a distorted linear geometry to four equivalent Cr(1) and one Cl(1) atom. The Pd(2)-Cl(1) bond length is 2.06 Å. Cl(1) is bonded in a 5-coordinate geometry to three equivalent Cr(1), one Pd(1), and one Pd(2) atom.