data_LiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiC
_chemical_formula_sum   'Li2 C2'
_cell_volume   29.8
_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  0.81  0.99  0.13  1.0
  Li  Li3  1  0.81  0.01  0.04  1.0
  C  C0  1  0.81  0.67  0.13  1.0
  C  C1  1  0.81  0.33  0.04  1.0

data_LiC
_symmetry_space_group_name_H-M   P-1
_cell_length_a   1.63
_cell_length_b   4.18
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   100.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiC
_chemical_formula_sum   'Li2 C2'
_cell_volume   29.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
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  0.01  0.54  0.01  1.0
  C  C1  2  0.33  0.54  0.33  1.0

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