data_Pd3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.32
_cell_length_c   6.52
_cell_angle_alpha   56.4
_cell_angle_beta   51.07
_cell_angle_gamma   72.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd3C2
_chemical_formula_sum   'Pd6 C4'
_cell_volume   127.63
_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  0.16  0.83  0.92  1.0
  Pd  Pd5  1  0.6  0.83  0.92  1.0
  Pd  Pd6  1  0.8  0.25  0.42  1.0
  Pd  Pd7  1  0.97  0.41  0.42  1.0
  Pd  Pd8  1  0.19  0.42  0.46  1.0
  Pd  Pd9  1  0.38  0.83  0.95  1.0
  C  C0  1  0.77  0.79  0.39  1.0
  C  C1  1  0.99  0.87  0.39  1.0
  C  C2  1  0.42  0.37  0.89  1.0
  C  C3  1  0.96  0.46  0.89  1.0

data_Pd3C2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.69
_cell_angle_alpha   107.47
_cell_angle_beta   107.47
_cell_angle_gamma   110.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd3C2
_chemical_formula_sum   'Pd6 C4'
_cell_volume   127.63
_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  0.09  0.84  0.93  1.0
  Pd  Pd1  1  0.2  0.03  0.61  1.0
  Pd  Pd2  1  0.53  0.2  0.78  1.0
  Pd  Pd3  1  0.65  0.4  0.48  1.0
  Pd  Pd4  1  0.84  0.62  0.67  1.0
  Pd  Pd5  1  0.94  0.81  0.35  1.0
  C  C6  1  0.05  0.23  0.84  1.0
  C  C7  1  0.32  0.58  0.69  1.0
  C  C8  1  0.7  0.04  0.16  1.0
  C  C9  1  0.74  0.01  0.61  1.0

Pd Pd Pd Pd Pd Pd C C C C
Pd3C2 crystallizes in the triclinic P1 space group. There are six inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 1-coordinate geometry to one Pd(6), one C(1), one C(3), and one C(4) atom. The Pd(1)-Pd(6) bond length is 1.42 Å. The Pd(1)-C(1) bond length is 2.34 Å. The Pd(1)-C(3) bond length is 2.51 Å. The Pd(1)-C(4) bond length is 2.71 Å. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to one Pd(6), one C(2), one C(3), and one C(4) atom. The Pd(2)-Pd(6) bond length is 1.14 Å. The Pd(2)-C(2) bond length is 2.55 Å. The Pd(2)-C(3) bond length is 2.71 Å. The Pd(2)-C(4) bond length is 2.35 Å. In the third Pd site, Pd(3) is bonded in a 3-coordinate geometry to one Pd(4), one C(2), one C(3), and one C(4) atom. The Pd(3)-Pd(4) bond length is 1.48 Å. The Pd(3)-C(2) bond length is 2.03 Å. The Pd(3)-C(3) bond length is 2.70 Å. The Pd(3)-C(4) bond length is 2.57 Å. In the fourth Pd site, Pd(4) is bonded in a 3-coordinate geometry to one Pd(3), one Pd(5), one C(1), and one C(3) atom. The Pd(4)-Pd(5) bond length is 1.44 Å. The Pd(4)-C(1) bond length is 1.95 Å. The Pd(4)-C(3) bond length is 2.58 Å. In the fifth Pd site, Pd(5) is bonded in a 3-coordinate geometry to one Pd(4), one C(2), and one C(4) atom. The Pd(5)-C(2) bond length is 2.28 Å. The Pd(5)-C(4) bond length is 2.34 Å. In the sixth Pd site, Pd(6) is bonded in a 2-coordinate geometry to one Pd(1), one Pd(2), one C(2), and two equivalent C(3) atoms. The Pd(6)-C(2) bond length is 2.38 Å. There is one shorter (2.62 Å) and one longer (2.73 Å) Pd(6)-C(3) bond length. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one Pd(1), one Pd(4), and one C(2) atom. The C(1)-C(2) bond length is 1.48 Å. In the second C site, C(2) is bonded in a 5-coordinate geometry to one Pd(2), one Pd(3), one Pd(5), one Pd(6), and one C(1) atom. In the third C site, C(3) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(2), one Pd(3), one Pd(4), and two equivalent Pd(6) atoms. In the fourth C site, C(4) is bonded in a 4-coordinate geometry to one Pd(1), one Pd(2), one Pd(3), and one Pd(5) atom.