# generated using pymatgen
data_LiH2CN5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.70748300
_cell_length_b   4.83603800
_cell_length_c   7.18046276
_cell_angle_alpha   76.28433295
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH2CN5
_chemical_formula_sum   'Li4 H8 C4 N20'
_cell_volume   361.21462757
_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  0.88436900  0.79504600  0.62916000  1
  Li  Li1  1  0.11563100  0.20495400  0.37084000  1
  Li  Li2  1  0.38436900  0.20495400  0.87084000  1
  Li  Li3  1  0.61563100  0.79504600  0.12916000  1
  H  H4  1  0.45036800  0.81377800  0.67735000  1
  H  H5  1  0.54963200  0.18622200  0.32265000  1
  H  H6  1  0.95036800  0.18622200  0.82265000  1
  H  H7  1  0.04963200  0.81377800  0.17735000  1
  H  H8  1  0.87427100  0.90874000  0.96900500  1
  H  H9  1  0.12572900  0.09126000  0.03099500  1
  H  H10  1  0.37427100  0.09126000  0.53099500  1
  H  H11  1  0.62572900  0.90874000  0.46900500  1
  C  C12  1  0.26166800  0.78073300  0.68107200  1
  C  C13  1  0.73833200  0.21926700  0.31892800  1
  C  C14  1  0.76166800  0.21926700  0.81892800  1
  C  C15  1  0.23833200  0.78073300  0.18107200  1
  N  N16  1  0.37148800  0.93675600  0.65644300  1
  N  N17  1  0.62851200  0.06324400  0.34355700  1
  N  N18  1  0.87148800  0.06324400  0.84355700  1
  N  N19  1  0.12851200  0.93675600  0.15644300  1
  N  N20  1  0.12670500  0.45525000  0.78636200  1
  N  N21  1  0.87329500  0.54475000  0.21363800  1
  N  N22  1  0.62670500  0.54475000  0.71363800  1
  N  N23  1  0.37329500  0.45525000  0.28636200  1
  N  N24  1  0.15096200  0.88459600  0.60899800  1
  N  N25  1  0.84903800  0.11540400  0.39100200  1
  N  N26  1  0.65096200  0.11540400  0.89100200  1
  N  N27  1  0.34903800  0.88459600  0.10899800  1
  N  N28  1  0.25023200  0.51364200  0.79021500  1
  N  N29  1  0.74976800  0.48635800  0.20978500  1
  N  N30  1  0.75023200  0.48635800  0.70978500  1
  N  N31  1  0.24976800  0.51364200  0.29021500  1
  N  N32  1  0.06843900  0.67413000  0.67880400  1
  N  N33  1  0.93156100  0.32587000  0.32119600  1
  N  N34  1  0.56843900  0.32587000  0.82119600  1
  N  N35  1  0.43156100  0.67413000  0.17880400  1
