data_Li3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   132.32
_cell_angle_beta   132.32
_cell_angle_gamma   69.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Cu
_chemical_formula_sum   'Li3 Cu1'
_cell_volume   60.4
_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
  Li  Li0  1  0.95  0.0  0.98  1.0
  Li  Li1  1  0.0  0.95  0.98  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.0  0.0  0.96  1.0

data_Li3Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   124.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li3Cu
_chemical_formula_sum   'Li6 Cu2'
_cell_volume   120.8
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.02  0.02  0.03  1.0
  Li  Li1  2  0.0  0.0  0.0  1.0
  Cu  Cu2  2  0.0  0.0  0.96  1.0

Li Li Li Cu
Li3Cu is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li3Cu clusters. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one Li(2) atom. The Li(1)-Li(2) bond length is 0.18 Å. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Cu(1) atom. The Li(2)-Cu(1) bond length is 0.18 Å. Cu(1) is bonded in a single-bond geometry to one Li(2) atom.