data_Li3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52
_cell_length_b   2.72
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3C
_chemical_formula_sum   'Li3 C1'
_cell_volume   49.53
_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  Li1  1  0.26  0.36  0.44  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Li  Li3  1  0.26  0.36  0.79  1.0
  C  C0  1  0.0  0.0  0.62  1.0

data_Li3C
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   2.72
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3C
_chemical_formula_sum   'Li3 C1'
_cell_volume   49.53
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.26  0.36  0.44  1.0
  Li  Li2  1  0.26  0.36  0.79  1.0
  C  C3  1  0.0  0.0  0.62  1.0

Li Li Li C
Li Li Li C 0 3 o o o 1 2 o o - 2 3 o o o 
CLi3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CLi3 cluster. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one C(1) atom. The Li(1)-C(1) bond length is 1.74 Å. In the second Li site, Li(2) is bonded in a 1-coordinate geometry to one Li(3) atom. The Li(2)-Li(3) bond length is 1.89 Å. In the third Li site, Li(3) is bonded in a 1-coordinate geometry to one Li(2) and one C(1) atom. The Li(3)-C(1) bond length is 1.74 Å. C(1) is bonded in a 2-coordinate geometry to one Li(1) and one Li(3) atom.