# generated using pymatgen
data_LiCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73206400
_cell_length_b   6.59553400
_cell_length_c   8.81800600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCN
_chemical_formula_sum   'Li4 C4 N4'
_cell_volume   217.05482090
_cell_formula_units_Z   4
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  0.25000000  0.47479600  0.37536100  1
  Li  Li1  1  0.75000000  0.52520400  0.62463900  1
  Li  Li2  1  0.75000000  0.97479600  0.12463900  1
  Li  Li3  1  0.25000000  0.02520400  0.87536100  1
  C  C4  1  0.25000000  0.26181100  0.19298700  1
  C  C5  1  0.75000000  0.73818900  0.80701300  1
  C  C6  1  0.75000000  0.76181100  0.30701300  1
  C  C7  1  0.25000000  0.23818900  0.69298700  1
  N  N8  1  0.25000000  0.14167800  0.09392200  1
  N  N9  1  0.75000000  0.85832200  0.90607800  1
  N  N10  1  0.75000000  0.64167800  0.40607800  1
  N  N11  1  0.25000000  0.35832200  0.59392200  1
