data_Li(CN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   3.47
_cell_angle_alpha   96.05
_cell_angle_beta   96.05
_cell_angle_gamma   106.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(CN)2
_chemical_formula_sum   'Li2 C4 N4'
_cell_volume   129.56
_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  0.78  0.43  0.0  1.0
  Li  Li1  1  0.78  0.57  0.0  1.0
  C  C2  1  0.48  0.85  0.71  1.0
  C  C3  1  0.68  0.0  0.34  1.0
  C  C4  1  0.48  0.15  0.71  1.0
  C  C5  1  0.27  0.0  0.07  1.0
  N  N6  1  0.21  0.0  0.49  1.0
  N  N7  1  0.48  0.36  0.71  1.0
  N  N8  1  0.48  0.64  0.71  1.0
  N  N9  1  0.74  0.0  0.92  1.0

data_Li(CN)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   106.05
_cell_angle_beta   96.05
_cell_angle_gamma   96.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(CN)2
_chemical_formula_sum   'Li2 C4 N4'
_cell_volume   129.56
_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  0.0  0.78  0.57  1.0
  Li  Li1  1  0.0  0.78  0.43  1.0
  C  C2  1  0.07  0.27  0.0  1.0
  C  C3  1  0.34  0.68  0.0  1.0
  C  C4  1  0.71  0.48  0.15  1.0
  C  C5  1  0.71  0.48  0.85  1.0
  N  N6  1  0.49  0.21  0.0  1.0
  N  N7  1  0.71  0.48  0.36  1.0
  N  N8  1  0.71  0.48  0.64  1.0
  N  N9  1  0.92  0.74  0.0  1.0

Li Li C C C C N N N N
Li Li C C C C N N N N 0 1 o o o 2 8 o o o 2 9 o + o 3 9 o o - 4 7 o o o 4 6 o o o 5 6 o o o 