# generated using pymatgen
data_LiC6N9Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12046409
_cell_length_b   8.12046409
_cell_length_c   7.47118500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.90289432
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiC6N9Cl
_chemical_formula_sum   'Li2 C12 N18 Cl2'
_cell_volume   427.07676971
_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  0.16337600  0.16337600  0.27520000  1
  Li  Li1  1  0.83662400  0.83662400  0.77520000  1
  C  C2  1  0.67268900  0.50460200  0.26785200  1
  C  C3  1  0.51540800  0.17192600  0.26713900  1
  C  C4  1  0.84813800  0.34507400  0.26744700  1
  C  C5  1  0.50460200  0.67268900  0.26785200  1
  C  C6  1  0.17192600  0.51540800  0.26713900  1
  C  C7  1  0.34507400  0.84813800  0.26744700  1
  C  C8  1  0.32731100  0.49539800  0.76785200  1
  C  C9  1  0.48459200  0.82807400  0.76713900  1
  C  C10  1  0.15186200  0.65492600  0.76744700  1
  C  C11  1  0.49539800  0.32731100  0.76785200  1
  C  C12  1  0.82807400  0.48459200  0.76713900  1
  C  C13  1  0.65492600  0.15186200  0.76744700  1
  N  N14  1  0.67118900  0.67118900  0.27738400  1
  N  N15  1  0.34470200  0.01276800  0.26611600  1
  N  N16  1  0.01276800  0.34470100  0.26611600  1
  N  N17  1  0.32881100  0.32881100  0.77738400  1
  N  N18  1  0.65529900  0.98723200  0.76611600  1
  N  N19  1  0.98723200  0.65529900  0.76611600  1
  N  N20  1  0.51080100  0.33695100  0.26369200  1
  N  N21  1  0.68270300  0.17660300  0.27039800  1
  N  N22  1  0.84107600  0.50875800  0.26857500  1
  N  N23  1  0.33695100  0.51080100  0.26369200  1
  N  N24  1  0.17660300  0.68270300  0.27039800  1
  N  N25  1  0.50875800  0.84107600  0.26857500  1
  N  N26  1  0.48919900  0.66304900  0.76369200  1
  N  N27  1  0.31729700  0.82339700  0.77039800  1
  N  N28  1  0.15892400  0.49124200  0.76857500  1
  N  N29  1  0.66304900  0.48919900  0.76369200  1
  N  N30  1  0.82339700  0.31729700  0.77039800  1
  N  N31  1  0.49124200  0.15892400  0.76857500  1
  Cl  Cl32  1  0.91683500  0.91683500  0.08587600  1
  Cl  Cl33  1  0.08316500  0.08316500  0.58587600  1
