data_PdC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   2.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdC2
_chemical_formula_sum   'Pd2 C4'
_cell_volume   61.44
_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  0.61  0.06  0.27  1.0
  Pd  Pd5  1  0.61  0.94  0.27  1.0
  C  C0  1  0.61  0.0  0.27  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.61  0.95  0.0  1.0
  C  C3  1  0.61  0.05  0.0  1.0

data_PdC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.54
_cell_length_b   5.22
_cell_length_c   5.31
_cell_angle_alpha   119.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdC2
_chemical_formula_sum   'Pd2 C4'
_cell_volume   61.44
_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  0.27  0.06  0.67  1.0
  Pd  Pd1  1  0.27  0.94  0.55  1.0
  C  C2  1  0.0  0.0  0.0  1.0
  C  C3  1  0.0  0.05  0.66  1.0
  C  C4  1  0.0  0.95  0.56  1.0
  C  C5  1  0.27  0.0  0.61  1.0

Pd Pd C C C C
PdC2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one PdC2 cluster. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to one C(1) and one C(4) atom. The Pd(1)-C(1) bond length is 0.33 Å. The Pd(1)-C(4) bond length is 0.70 Å. In the second Pd site, Pd(2) is bonded in a single-bond geometry to one C(1), one C(2), and one C(3) atom. The Pd(2)-C(1) bond length is 0.33 Å. The Pd(2)-C(2) bond length is 2.05 Å. The Pd(2)-C(3) bond length is 0.70 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Pd(1) and one Pd(2) atom. In the second C site, C(2) is bonded in a 2-coordinate geometry to one Pd(2) and one C(3) atom. The C(2)-C(3) bond length is 1.96 Å. In the third C site, C(3) is bonded in a 2-coordinate geometry to one Pd(2), one C(2), and one C(4) atom. The C(3)-C(4) bond length is 0.51 Å. In the fourth C site, C(4) is bonded in a 2-coordinate geometry to one Pd(1) and one C(3) atom.