data_LiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   23.68
_cell_angle_beta   23.68
_cell_angle_gamma   23.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiC
_chemical_formula_sum   'Li2 C2'
_cell_volume   35.53
_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  0.0  0.0  0.83  1.0
  Li  Li3  1  0.0  0.0  0.55  1.0
  C  C0  1  0.0  0.0  0.23  1.0
  C  C1  1  0.0  0.0  0.15  1.0

data_LiC
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.48
_cell_length_b   2.59
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   103.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   LiC
_chemical_formula_sum   'Li4 C4'
_cell_volume   71.07
_cell_formula_units_Z   4
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'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  0.0  0.0  0.14  1.0
  C  C1  4  0.0  0.0  0.46  1.0

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