data_Cu3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   4.31
_cell_angle_alpha   141.94
_cell_angle_beta   75.6
_cell_angle_gamma   117.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3C
_chemical_formula_sum   'Cu3 C1'
_cell_volume   42.91
_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
  Cu  Cu1  1  0.41  0.0  0.66  1.0
  Cu  Cu2  1  0.41  0.27  0.43  1.0
  Cu  Cu3  1  0.0  0.14  0.67  1.0
  C  C0  1  0.0  0.0  0.23  1.0

data_Cu3C
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.31
_cell_length_c   4.31
_cell_angle_alpha   62.52
_cell_angle_beta   70.97
_cell_angle_gamma   70.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3C
_chemical_formula_sum   'Cu3 C1'
_cell_volume   42.91
_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
  Cu  Cu0  1  0.13  0.59  0.84  1.0
  Cu  Cu1  1  0.41  0.59  0.34  1.0
  Cu  Cu2  1  0.86  0.0  0.47  1.0
  C  C3  1  0.0  0.0  0.77  1.0

Cu Cu Cu C
Cu Cu Cu C 0 2 o o o 0 2 + o o 0 1 o o o 0 1 o o + 0 1 o - o 0 3 o o + 1 3 o o o 1 2 o o o 2 3 o o o 
Cu3C crystallizes in the triclinic P1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to two equivalent Cu(1), three equivalent Cu(2), three equivalent Cu(3), and four equivalent C(1) atoms. Both Cu(1)-Cu(1) bond lengths are 2.81 Å. There are a spread of Cu(1)-Cu(2) bond distances ranging from 2.04-2.51 Å. There are a spread of Cu(1)-Cu(3) bond distances ranging from 2.07-2.80 Å. There are a spread of Cu(1)-C(1) bond distances ranging from 2.65-2.76 Å. In the second Cu site, Cu(2) is bonded in a single-bond geometry to three equivalent Cu(1) and one C(1) atom. The Cu(2)-C(1) bond length is 1.56 Å. In the third Cu site, Cu(3) is bonded in a distorted single-bond geometry to three equivalent Cu(1) and one C(1) atom. The Cu(3)-C(1) bond length is 1.47 Å. C(1) is bonded in a 2-coordinate geometry to one Cu(2), one Cu(3), and four equivalent Cu(1) atoms.