# generated using pymatgen
data_LiH3CN2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76635000
_cell_length_b   9.47157600
_cell_length_c   14.57146648
_cell_angle_alpha   90.00000000
_cell_angle_beta   113.75573556
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH3CN2O
_chemical_formula_sum   'Li12 H36 C12 N24 O12'
_cell_volume   981.05249315
_cell_formula_units_Z   12
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  0.10999200  0.56742500  0.13544600  1
  Li  Li1  1  0.10999200  0.93257500  0.63544600  1
  Li  Li2  1  0.89000800  0.43257500  0.86455400  1
  Li  Li3  1  0.89000800  0.06742500  0.36455400  1
  Li  Li4  1  0.11131100  0.65007000  0.94816100  1
  Li  Li5  1  0.11131100  0.84993000  0.44816100  1
  Li  Li6  1  0.88868900  0.34993000  0.05183900  1
  Li  Li7  1  0.88868900  0.15007000  0.55183900  1
  Li  Li8  1  0.80146100  0.68921800  0.77467900  1
  Li  Li9  1  0.80146100  0.81078200  0.27467900  1
  Li  Li10  1  0.19853900  0.31078200  0.22532100  1
  Li  Li11  1  0.19853900  0.18921800  0.72532100  1
  H  H12  1  0.54808800  0.74926800  0.86457100  1
  H  H13  1  0.54808800  0.75073200  0.36457100  1
  H  H14  1  0.45191200  0.25073200  0.13542900  1
  H  H15  1  0.45191200  0.24926800  0.63542900  1
  H  H16  1  0.52876000  0.73352900  0.98027500  1
  H  H17  1  0.52876000  0.76647100  0.48027500  1
  H  H18  1  0.47124000  0.26647100  0.01972500  1
  H  H19  1  0.47124000  0.23352900  0.51972500  1
  H  H20  1  0.73962300  0.58874400  0.09628100  1
  H  H21  1  0.73962300  0.91125600  0.59628100  1
  H  H22  1  0.26037700  0.41125600  0.90371900  1
  H  H23  1  0.26037700  0.08874400  0.40371900  1
  H  H24  1  0.99061500  0.90121000  0.12422100  1
  H  H25  1  0.99061500  0.59879000  0.62422100  1
  H  H26  1  0.00938500  0.09879000  0.87577900  1
  H  H27  1  0.00938500  0.40121000  0.37577900  1
  H  H28  1  0.04968000  0.05573300  0.08614900  1
  H  H29  1  0.04968000  0.44426700  0.58614900  1
  H  H30  1  0.95032000  0.94426700  0.91385100  1
  H  H31  1  0.95032000  0.55573300  0.41385100  1
  H  H32  1  0.85648500  0.26094000  0.21875200  1
  H  H33  1  0.85648500  0.23906000  0.71875200  1
  H  H34  1  0.14351500  0.73906000  0.78124800  1
  H  H35  1  0.14351500  0.76094000  0.28124800  1
  H  H36  1  0.69424000  0.05265800  0.95918400  1
  H  H37  1  0.69424000  0.44734200  0.45918400  1
  H  H38  1  0.30576000  0.94734200  0.04081600  1
  H  H39  1  0.30576000  0.55265800  0.54081600  1
  H  H40  1  0.45657000  0.05047900  0.87612500  1
  H  H41  1  0.45657000  0.44952100  0.37612500  1
  H  H42  1  0.54343000  0.94952100  0.12387500  1
  H  H43  1  0.54343000  0.55047900  0.62387500  1
  H  H44  1  0.48837100  0.38611200  0.78263700  1
  H  H45  1  0.48837100  0.11388800  0.28263700  1
  H  H46  1  0.51162900  0.61388800  0.21736300  1
  H  H47  1  0.51162900  0.88611200  0.71736300  1
  C  C48  1  0.75570700  0.63055400  0.96925900  1
  C  C49  1  0.75570700  0.86944600  0.46925900  1
  C  C50  1  0.24429300  0.36944600  0.03074100  1
  C  C51  1  0.24429300  0.13055400  0.53074100  1
  C  C52  1  0.89959100  0.07891500  0.17346600  1
  C  C53  1  0.89959100  0.42108500  0.67346600  1
  C  C54  1  0.10040900  0.92108500  0.82653400  1
  C  C55  1  0.10040900  0.57891500  0.32653400  1
  C  C56  1  0.60389300  0.23138000  0.87127000  1
  C  C57  1  0.60389300  0.26862000  0.37127000  1
  C  C58  1  0.39610700  0.76862000  0.12873000  1
  C  C59  1  0.39610700  0.73138000  0.62873000  1
  N  N60  1  0.60156700  0.71654100  0.93710800  1
  N  N61  1  0.60156700  0.78345900  0.43710800  1
  N  N62  1  0.39843300  0.28345900  0.06289200  1
  N  N63  1  0.39843300  0.21654100  0.56289200  1
  N  N64  1  0.82134700  0.56591800  0.05791500  1
  N  N65  1  0.82134700  0.93408200  0.55791500  1
  N  N66  1  0.17865300  0.43408200  0.94208500  1
  N  N67  1  0.17865300  0.06591800  0.44208500  1
  N  N68  1  0.95788200  0.00496000  0.10842300  1
  N  N69  1  0.95788200  0.49504000  0.60842300  1
  N  N70  1  0.04211800  0.99504000  0.89157700  1
  N  N71  1  0.04211800  0.50496000  0.39157700  1
  N  N72  1  0.91857800  0.21920700  0.17477500  1
  N  N73  1  0.91857800  0.28079300  0.67477500  1
  N  N74  1  0.08142200  0.78079300  0.82522500  1
  N  N75  1  0.08142200  0.71920700  0.32522500  1
  N  N76  1  0.57936900  0.10441200  0.91046400  1
  N  N77  1  0.57936900  0.39558800  0.41046400  1
  N  N78  1  0.42063100  0.89558800  0.08953600  1
  N  N79  1  0.42063100  0.60441200  0.58953600  1
  N  N80  1  0.45419400  0.28723100  0.79823600  1
  N  N81  1  0.45419400  0.21276900  0.29823600  1
  N  N82  1  0.54580600  0.71276900  0.20176400  1
  N  N83  1  0.54580600  0.78723100  0.70176400  1
  O  O84  1  0.83854200  0.61694300  0.90801100  1
  O  O85  1  0.83854200  0.88305700  0.40801100  1
  O  O86  1  0.16145800  0.38305700  0.09198900  1
  O  O87  1  0.16145800  0.11694300  0.59198900  1
  O  O88  1  0.82598800  0.00665700  0.22370000  1
  O  O89  1  0.82598800  0.49334300  0.72370000  1
  O  O90  1  0.17401200  0.99334300  0.77630000  1
  O  O91  1  0.17401200  0.50665700  0.27630000  1
  O  O92  1  0.77234000  0.28598200  0.91213700  1
  O  O93  1  0.77234000  0.21401800  0.41213700  1
  O  O94  1  0.22766000  0.71401800  0.08786300  1
  O  O95  1  0.22766000  0.78598200  0.58786300  1
