# generated using pymatgen
data_Li2CN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63601344
_cell_length_b   3.63601425
_cell_length_c   5.05489390
_cell_angle_alpha   111.07887903
_cell_angle_beta   111.07887572
_cell_angle_gamma   90.00000834
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CN2
_chemical_formula_sum   'Li2 C1 N2'
_cell_volume   57.53869290
_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  Li0  1  0.75000000  0.25000000  0.50000000  1
  Li  Li1  1  0.25000000  0.75000000  0.50000000  1
  C  C2  1  0.00000000  0.00000000  -0.00000000  1
  N  N3  1  0.14128495  0.14128495  0.28256790  1
  N  N4  1  0.85871505  0.85871505  0.71743210  1
