data_LiC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   26.33
_cell_angle_beta   26.33
_cell_angle_gamma   26.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiC3
_chemical_formula_sum   'Li1 C3'
_cell_volume   28.85
_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  Li3  1  0.0  0.0  0.0  1.0
  C  C0  1  0.0  0.0  0.57  1.0
  C  C1  1  0.0  0.0  0.96  1.0
  C  C2  1  0.0  0.0  0.35  1.0

data_LiC3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   2.51
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   105.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiC3
_chemical_formula_sum   'Li2 C6'
_cell_volume   57.69
_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  2  0.0  0.0  0.0  1.0
  C  C1  2  0.0  0.0  0.04  1.0
  C  C2  2  0.0  0.0  0.43  1.0
  C  C3  2  0.0  0.0  0.65  1.0

Li C C C