data_LiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiC
_chemical_formula_sum   'Li2 C2'
_cell_volume   33.74
_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  Li2  1  0.87  0.08  0.09  1.0
  Li  Li3  1  0.0  0.16  0.7  1.0
  C  C0  1  0.0  0.0  0.39  1.0
  C  C1  1  0.0  0.0  0.0  1.0

data_LiC
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.74
_cell_length_c   3.74
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiC
_chemical_formula_sum   'Li2 C2'
_cell_volume   33.74
_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  Li0  1  0.09  0.87  0.08  1.0
  Li  Li1  1  0.7  0.0  0.16  1.0
  C  C2  1  0.0  0.0  0.0  1.0
  C  C3  1  0.39  0.0  0.0  1.0

Li Li C C
Li Li C C 0 3 + o o 0 1 + o - 0 2 + o o 1 2 o o o 1 3 o o + 2 3 o o o 