# generated using pymatgen
data_Li2H2C6N9Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69757365
_cell_length_b   8.63955322
_cell_length_c   7.13123769
_cell_angle_alpha   89.82892482
_cell_angle_beta   89.81501502
_cell_angle_gamma   120.13713701
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2H2C6N9Cl
_chemical_formula_sum   'Li4 H4 C12 N18 Cl2'
_cell_volume   463.41993638
_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  0.77206500  0.74492200  0.21981200  1
  Li  Li1  1  0.99515100  0.77276800  0.72006000  1
  Li  Li2  1  0.12658000  0.19411800  0.22186500  1
  Li  Li3  1  0.88269600  0.11515100  0.72329700  1
  H  H4  1  0.02526200  0.71560900  0.22526300  1
  H  H5  1  0.74043500  0.98913500  0.23634200  1
  H  H6  1  0.71483100  0.74058600  0.72761000  1
  H  H7  1  0.27453500  0.02150400  0.73102300  1
  C  C8  1  0.64316700  0.15397000  0.22766000  1
  C  C9  1  0.84404500  0.44682300  0.22571700  1
  C  C10  1  0.54369800  0.35129900  0.22440200  1
  C  C11  1  0.36169700  0.84107300  0.72673800  1
  C  C12  1  0.15619900  0.53941100  0.72463900  1
  C  C13  1  0.45244200  0.63936400  0.72601800  1
  C  C14  1  0.83312200  0.38278100  0.72460200  1
  C  C15  1  0.53481600  0.18067000  0.72683400  1
  C  C16  1  0.62605000  0.47403100  0.72601400  1
  C  C17  1  0.18309100  0.61170100  0.22545500  1
  C  C18  1  0.47535400  0.81442100  0.22759100  1
  C  C19  1  0.38408800  0.51497200  0.22471400  1
  N  N20  1  0.50484200  0.17759000  0.22562800  1
  N  N21  1  0.81848700  0.28188100  0.22790100  1
  N  N22  1  0.71521100  0.49187300  0.22399600  1
  N  N23  1  0.50048000  0.81584000  0.72705100  1
  N  N24  1  0.18794500  0.71127100  0.72527500  1
  N  N25  1  0.28995200  0.50005100  0.72478200  1
  N  N26  1  0.80093800  0.52108000  0.72441900  1
  N  N27  1  0.69852800  0.20665300  0.72539300  1
  N  N28  1  0.48879800  0.30883800  0.72739100  1
  N  N29  1  0.20880300  0.47301500  0.22437400  1
  N  N30  1  0.31103800  0.78717700  0.22698500  1
  N  N31  1  0.52135500  0.68568200  0.22605500  1
  N  N32  1  0.62122600  0.98432200  0.23008500  1
  N  N33  1  0.01512400  0.59283600  0.22526200  1
  N  N34  1  0.39679800  0.36639600  0.22360200  1
  N  N35  1  0.38652100  0.01193200  0.72797600  1
  N  N36  1  0.99269500  0.39268500  0.72397600  1
  N  N37  1  0.60089800  0.61936200  0.72644100  1
  Cl  Cl38  1  0.95679500  0.95259600  0.46946400  1
  Cl  Cl39  1  0.95973500  0.95298100  0.97000700  1
