data_PdC7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdC7
_chemical_formula_sum   'Pd1 C7'
_cell_volume   69.35
_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  Pd7  1  0.26  0.26  0.26  1.0
  C  C0  1  0.26  0.63  0.63  1.0
  C  C1  1  0.63  0.0  0.63  1.0
  C  C2  1  0.63  0.63  0.0  1.0
  C  C3  1  0.0  0.63  0.63  1.0
  C  C4  1  0.63  0.26  0.63  1.0
  C  C5  1  0.63  0.63  0.26  1.0
  C  C6  1  0.0  0.0  0.0  1.0

data_PdC7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   11.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   PdC7
_chemical_formula_sum   'Pd3 C21'
_cell_volume   208.05
_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  3  0.0  0.0  0.74  1.0
  C  C1  9  0.09  0.54  0.91  1.0
  C  C2  9  0.21  0.42  0.16  1.0
  C  C3  3  0.0  0.0  0.0  1.0

Pd C C C C C C C
Pd C C C C C C C 0 7 o o o 0 7 o o + 0 7 o + o 0 7 + o o 0 4 o - o 0 4 o o - 0 4 o o o 0 2 - o o 0 2 o o - 0 2 o o o 0 1 o - o 0 1 o o - 0 1 o o o 0 6 - o o 0 6 o - o 0 6 o o o 0 3 - o o 0 3 o - o 0 3 o o o 0 5 - o o 0 5 o o - 0 5 o o o 1 4 o o o 1 7 o + + 1 7 o + o 1 7 o o + 2 5 o o o 2 7 + o + 2 7 + o o 2 7 o o + 3 6 o o o 3 7 + + o 3 7 + o o 3 7 o + o 4 7 o + + 4 7 o + o 4 7 o o + 5 7 + o + 5 7 + o o 5 7 o o + 6 7 + + o 6 7 + o o 6 7 o + o 
PdC7 crystallizes in the trigonal R3m space group. Pd(1) is bonded in a 9-coordinate geometry to three equivalent C(2), three equivalent C(3), and six equivalent C(1) atoms. All Pd(1)-C(2) bond lengths are 2.46 Å. All Pd(1)-C(3) bond lengths are 2.79 Å. All Pd(1)-C(1) bond lengths are 2.53 Å. There are three inequivalent C sites. In the first C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pd(1) atoms. In the second C site, C(1) is bonded in a 5-coordinate geometry to two equivalent Pd(1), one C(2), and two equivalent C(1) atoms. The C(1)-C(2) bond length is 1.20 Å. Both C(1)-C(1) bond lengths are 1.70 Å. In the third C site, C(2) is bonded in a 4-coordinate geometry to one Pd(1), one C(1), and two equivalent C(2) atoms. Both C(2)-C(2) bond lengths are 1.70 Å.