data_Pd4PtCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd4PtCl
_chemical_formula_sum   'Pd4 Pt1 Cl1'
_cell_volume   103.1
_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
  Pd  Pd1  1  0.65  0.65  0.79  1.0
  Pd  Pd2  1  0.65  0.79  0.65  1.0
  Pd  Pd3  1  0.79  0.65  0.65  1.0
  Pd  Pd4  1  0.79  0.79  0.79  1.0
  Pt  Pt5  1  0.58  0.58  0.58  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Pd4PtCl
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   12.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Pd4PtCl
_chemical_formula_sum   'Pd12 Pt3 Cl3'
_cell_volume   309.3
_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
  Pd  Pd0  9  0.05  0.09  0.3  1.0
  Pd  Pd1  3  0.0  0.0  0.21  1.0
  Pt  Pt2  3  0.0  0.0  0.42  1.0
  Cl  Cl3  3  0.0  0.0  0.0  1.0

Pd Pd Pd Pd Pt Cl
Pd Pd Pd Pd Pt Cl 0 2 o o o 0 1 o o o 0 3 o o o 0 4 o o o 0 5 + o + 0 5 o + + 1 2 o o o 1 3 o o o 1 4 o o o 1 5 + + o 1 5 o + + 2 3 o o o 2 4 o o o 2 5 + + o 2 5 + o + 3 5 + + + 3 5 + + o 3 5 o + + 3 5 + o + 4 5 + + o 4 5 + o + 4 5 o + + 
PtPd4Cl crystallizes in the trigonal R3m space group. Pt(1) is bonded in a 3-coordinate geometry to three equivalent Pd(1) atoms. All Pt(1)-Pd(1) bond lengths are 1.55 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 2-coordinate geometry to one Pt(1), one Pd(2), two equivalent Pd(1), and two equivalent Cl(1) atoms. The Pd(1)-Pd(2) bond length is 1.29 Å. Both Pd(1)-Pd(1) bond lengths are 0.75 Å. Both Pd(1)-Cl(1) bond lengths are 2.88 Å. In the second Pd site, Pd(2) is bonded in a 4-coordinate geometry to three equivalent Pd(1) and one Cl(1) atom. The Pd(2)-Cl(1) bond length is 2.67 Å. Cl(1) is bonded in a distorted single-bond geometry to one Pd(2) and six equivalent Pd(1) atoms.