data_Li3C4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.16
_cell_length_b   10.16
_cell_length_c   10.16
_cell_angle_alpha   166.28
_cell_angle_beta   166.28
_cell_angle_gamma   19.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3C4
_chemical_formula_sum   'Li3 C4'
_cell_volume   59.05
_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  Li4  1  0.0  0.0  0.0  1.0
  Li  Li5  1  0.0  0.0  0.8  1.0
  Li  Li6  1  0.0  0.0  0.24  1.0
  C  C0  1  0.0  0.0  0.99  1.0
  C  C1  1  0.0  0.0  0.04  1.0
  C  C2  1  0.0  0.0  0.81  1.0
  C  C3  1  0.0  0.0  0.23  1.0

data_Li3C4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   10.16
_cell_angle_alpha   90.0
_cell_angle_beta   99.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li3C4
_chemical_formula_sum   'Li6 C8'
_cell_volume   118.1
_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
  Li  Li1  2  0.0  0.0  0.2  1.0
  Li  Li2  2  0.0  0.0  0.76  1.0
  C  C3  2  0.0  0.0  0.01  1.0
  C  C4  2  0.0  0.0  0.19  1.0
  C  C5  2  0.0  0.0  0.77  1.0
  C  C6  2  0.0  0.0  0.96  1.0

Li Li Li C C C C
Li Li Li C C C C 0 3 o o - 0 4 o o o 1 5 o o o 2 6 o o o 3 4 o o + 