data_CuC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuC2
_chemical_formula_sum   'Cu4 C8'
_cell_volume   125.33
_cell_formula_units_Z   4
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
  Cu  Cu8  1  0.06  0.19  0.44  1.0
  Cu  Cu9  1  0.0  0.38  0.7  1.0
  Cu  Cu10  1  0.0  0.38  0.09  1.0
  Cu  Cu11  1  0.06  0.19  0.82  1.0
  C  C0  1  0.0  0.0  0.26  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.35  0.16  0.39  1.0
  C  C3  1  0.71  0.41  0.13  1.0
  C  C4  1  0.65  0.16  0.39  1.0
  C  C5  1  0.0  0.82  0.39  1.0
  C  C6  1  0.06  0.75  0.13  1.0
  C  C7  1  0.41  0.41  0.13  1.0

data_CuC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuC2
_chemical_formula_sum   'Cu4 C8'
_cell_volume   125.33
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.0  0.38  0.09  1.0
  Cu  Cu1  1  0.0  0.38  0.7  1.0
  Cu  Cu2  1  0.06  0.19  0.44  1.0
  Cu  Cu3  1  0.06  0.19  0.82  1.0
  C  C4  1  0.0  0.0  0.0  1.0
  C  C5  1  0.0  0.0  0.26  1.0
  C  C6  1  0.0  0.82  0.39  1.0
  C  C7  1  0.06  0.75  0.13  1.0
  C  C8  1  0.35  0.16  0.39  1.0
  C  C9  1  0.41  0.41  0.13  1.0
  C  C10  1  0.65  0.16  0.39  1.0
  C  C11  1  0.71  0.41  0.13  1.0

Cu Cu Cu Cu C C C C C C C C
CuCC crystallizes in the triclinic P1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Cu(2), one C(1), one C(3), one C(5), and one C(6) atom. The Cu(1)-Cu(2) bond length is 2.41 Å. The Cu(1)-C(1) bond length is 1.65 Å. The Cu(1)-C(3) bond length is 1.33 Å. The Cu(1)-C(5) bond length is 1.70 Å. The Cu(1)-C(6) bond length is 1.48 Å. In the second Cu site, Cu(2) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one Cu(4) atom. The Cu(2)-Cu(4) bond length is 1.43 Å. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one C(1), one C(2), one C(4), one C(7), and one C(8) atom. The Cu(3)-C(1) bond length is 2.16 Å. The Cu(3)-C(2) bond length is 1.72 Å. The Cu(3)-C(4) bond length is 1.33 Å. The Cu(3)-C(7) bond length is 1.48 Å. The Cu(3)-C(8) bond length is 1.70 Å. In the fourth Cu site, Cu(4) is bonded in a distorted single-bond geometry to one Cu(2) and one C(2) atom. The Cu(4)-C(2) bond length is 1.65 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to one Cu(1), one Cu(3), one C(3), one C(6), one C(7), and one C(8) atom. The C(1)-C(3) bond length is 1.68 Å. The C(1)-C(6) bond length is 1.35 Å. The C(1)-C(7) bond length is 1.61 Å. The C(1)-C(8) bond length is 2.03 Å. In the second C site, C(2) is bonded in a 2-coordinate geometry to one Cu(3), one Cu(4), and one C(7) atom. The C(2)-C(7) bond length is 1.61 Å. In the third C site, C(3) is bonded in a 4-coordinate geometry to one Cu(1), one C(1), one C(5), and one C(6) atom. The C(3)-C(5) bond length is 1.20 Å. The C(3)-C(6) bond length is 1.44 Å. In the fourth C site, C(4) is bonded in a 3-coordinate geometry to one Cu(3), one C(7), and one C(8) atom. The C(4)-C(7) bond length is 1.44 Å. The C(4)-C(8) bond length is 1.20 Å. In the fifth C site, C(5) is bonded in a distorted linear geometry to one Cu(1) and one C(3) atom. In the sixth C site, C(6) is bonded in a 3-coordinate geometry to one Cu(1), one C(1), and one C(3) atom. In the seventh C site, C(7) is bonded in a 4-coordinate geometry to one Cu(3), one C(1), one C(2), and one C(4) atom. In the eighth C site, C(8) is bonded in a distorted linear geometry to one Cu(3), one C(1), and one C(4) atom.