data_LiCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu3
_chemical_formula_sum   'Li2 Cu6'
_cell_volume   102.84
_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
  Li  Li6  1  0.43  0.35  0.08  1.0
  Li  Li7  1  0.43  0.65  0.24  1.0
  Cu  Cu0  1  0.43  0.23  0.24  1.0
  Cu  Cu1  1  0.43  0.77  0.08  1.0
  Cu  Cu2  1  0.22  0.97  0.24  1.0
  Cu  Cu3  1  0.64  0.03  0.08  1.0
  Cu  Cu4  1  0.64  0.97  0.24  1.0
  Cu  Cu5  1  0.22  0.03  0.08  1.0

data_LiCu3
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   4.32
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   LiCu3
_chemical_formula_sum   'Li2 Cu6'
_cell_volume   102.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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
  Li  Li0  2  0.08  0.0  0.65  1.0
  Cu  Cu1  4  0.08  0.21  0.97  1.0
  Cu  Cu2  2  0.08  0.0  0.23  1.0

Li Li Cu Cu Cu Cu Cu Cu
Li Li Cu Cu Cu Cu Cu Cu 0 2 o o o 1 3 o o o 4 7 o + o 5 6 o - o 
LiCu(Cu)2 crystallizes in the monoclinic P2/m space group. The structure is zero-dimensional and consists of two cuprojodid molecules and two Cu clusters. In each Cu cluster, Cu(2) is bonded in a distorted single-bond geometry to one Cu(2) atom. The Cu(2)-Cu(2) bond length is 0.76 Å.