data_PdC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.29
_cell_angle_alpha   113.85
_cell_angle_beta   113.85
_cell_angle_gamma   101.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdC2
_chemical_formula_sum   'Pd2 C4'
_cell_volume   59.95
_cell_formula_units_Z   2
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  Pd4  1  0.0  0.0  0.37  1.0
  Pd  Pd5  1  0.0  0.0  0.1  1.0
  C  C0  1  0.48  0.82  0.0  1.0
  C  C1  1  0.86  0.52  0.73  1.0
  C  C2  1  0.48  0.86  0.73  1.0
  C  C3  1  0.86  0.48  0.0  1.0

data_PdC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.29
_cell_angle_alpha   101.02
_cell_angle_beta   113.85
_cell_angle_gamma   113.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdC2
_chemical_formula_sum   'Pd2 C4'
_cell_volume   59.95
_cell_formula_units_Z   2
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  Pd0  1  0.1  0.0  0.0  1.0
  Pd  Pd1  1  0.37  0.0  0.0  1.0
  C  C2  1  0.0  0.48  0.82  1.0
  C  C3  1  0.0  0.86  0.48  1.0
  C  C4  1  0.73  0.48  0.86  1.0
  C  C5  1  0.73  0.86  0.52  1.0

Pd Pd C C C C
Pd Pd C C C C 0 1 o o o 2 4 o o - 3 5 o o + 
PdC2 crystallizes in the triclinic P1 space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 5-coordinate geometry to one Pd(2), one C(1), one C(2), one C(3), and one C(4) atom. The Pd(1)-Pd(2) bond length is 1.16 Å. The Pd(1)-C(1) bond length is 1.89 Å. The Pd(1)-C(2) bond length is 2.49 Å. The Pd(1)-C(3) bond length is 2.38 Å. The Pd(1)-C(4) bond length is 1.92 Å. In the second Pd site, Pd(2) is bonded in a 7-coordinate geometry to one Pd(1), one C(2), one C(3), two equivalent C(1), and two equivalent C(4) atoms. The Pd(2)-C(2) bond length is 1.80 Å. The Pd(2)-C(3) bond length is 1.92 Å. There is one shorter (2.02 Å) and one longer (2.46 Å) Pd(2)-C(1) bond length. There is one shorter (2.01 Å) and one longer (2.39 Å) Pd(2)-C(4) bond length. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 2-coordinate geometry to one Pd(1), two equivalent Pd(2), and one C(3) atom. The C(1)-C(3) bond length is 1.24 Å. In the second C site, C(2) is bonded in a 3-coordinate geometry to one Pd(1), one Pd(2), and one C(4) atom. The C(2)-C(4) bond length is 1.24 Å. In the third C site, C(3) is bonded in a 3-coordinate geometry to one Pd(1), one Pd(2), and one C(1) atom. In the fourth C site, C(4) is bonded in a 4-coordinate geometry to one Pd(1), two equivalent Pd(2), and one C(2) atom.