# generated using pymatgen
data_Li2CuH14C4(N3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.96633400
_cell_length_b   3.51861100
_cell_length_c   13.51233544
_cell_angle_alpha   82.70505981
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuH14C4(N3O4)2
_chemical_formula_sum   'Li4 Cu2 H28 C8 N12 O16'
_cell_volume   611.48984169
_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  0.09436700  0.71445200  0.36427700  1
  Li  Li1  1  0.40563300  0.71445200  0.86427700  1
  Li  Li2  1  0.59436700  0.28554800  0.13572300  1
  Li  Li3  1  0.90563300  0.28554800  0.63572300  1
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu5  1  0.50000000  0.00000000  0.50000000  1
  H  H6  1  0.58635200  0.08741400  0.93548500  1
  H  H7  1  0.58528500  0.26198900  0.82252700  1
  H  H8  1  0.78781300  0.71200900  0.37579000  1
  H  H9  1  0.14907000  0.39006600  0.83341100  1
  H  H10  1  0.24183100  0.49531800  0.76002200  1
  H  H11  1  0.74183100  0.50468200  0.73997800  1
  H  H12  1  0.48767700  0.81521600  0.32375900  1
  H  H13  1  0.64907000  0.60993400  0.66658900  1
  H  H14  1  0.33706100  0.87361000  0.39328600  1
  H  H15  1  0.83706100  0.12639000  0.10671400  1
  H  H16  1  0.08528500  0.73801100  0.67747300  1
  H  H17  1  0.98767700  0.18478400  0.17624100  1
  H  H18  1  0.08635200  0.91258600  0.56451500  1
  H  H19  1  0.28781300  0.28799100  0.12421000  1
  H  H20  1  0.71218700  0.71200900  0.87579000  1
  H  H21  1  0.91364800  0.08741400  0.43548500  1
  H  H22  1  0.01232300  0.81521600  0.82375900  1
  H  H23  1  0.91471500  0.26198900  0.32252700  1
  H  H24  1  0.16293900  0.87361000  0.89328600  1
  H  H25  1  0.66293900  0.12639000  0.60671400  1
  H  H26  1  0.35093000  0.39006600  0.33341100  1
  H  H27  1  0.51232300  0.18478400  0.67624100  1
  H  H28  1  0.25816900  0.49531800  0.26002200  1
  H  H29  1  0.75816900  0.50468200  0.23997800  1
  H  H30  1  0.85093000  0.60993400  0.16658900  1
  H  H31  1  0.21218700  0.28799100  0.62421000  1
  H  H32  1  0.41471500  0.73801100  0.17747300  1
  H  H33  1  0.41364800  0.91258600  0.06451500  1
  C  C34  1  0.63332800  0.75446700  0.34522200  1
  C  C35  1  0.22903500  0.08326700  0.00155200  1
  C  C36  1  0.72903500  0.91673300  0.49844800  1
  C  C37  1  0.13332800  0.24553300  0.15477800  1
  C  C38  1  0.86667200  0.75446700  0.84522200  1
  C  C39  1  0.27096500  0.08326700  0.50155200  1
  C  C40  1  0.77096500  0.91673300  0.99844800  1
  C  C41  1  0.36667200  0.24553300  0.65477800  1
  N  N42  1  0.85564200  0.98337100  0.04737900  1
  N  N43  1  0.71989400  0.77890600  0.40621400  1
  N  N44  1  0.54214800  0.83928900  0.37692800  1
  N  N45  1  0.04214800  0.16071100  0.12307200  1
  N  N46  1  0.21989400  0.22109400  0.09378600  1
  N  N47  1  0.35564200  0.01662900  0.45262100  1
  N  N48  1  0.64435800  0.98337100  0.54737900  1
  N  N49  1  0.78010600  0.77890600  0.90621400  1
  N  N50  1  0.95785200  0.83928900  0.87692800  1
  N  N51  1  0.45785200  0.16071100  0.62307200  1
  N  N52  1  0.28010600  0.22109400  0.59378600  1
  N  N53  1  0.14435800  0.01662900  0.95262100  1
  O  O54  1  0.32180200  0.03514700  0.97028200  1
  O  O55  1  0.53823100  0.16717900  0.87871500  1
  O  O56  1  0.35023200  0.34921800  0.74207000  1
  O  O57  1  0.66963300  0.41455300  0.72215800  1
  O  O58  1  0.16963300  0.58544700  0.77784200  1
  O  O59  1  0.85023200  0.65078200  0.75793000  1
  O  O60  1  0.03823100  0.83282100  0.62128500  1
  O  O61  1  0.82180200  0.96485300  0.52971800  1
  O  O62  1  0.17819800  0.03514700  0.47028200  1
  O  O63  1  0.96176900  0.16717900  0.37871500  1
  O  O64  1  0.14976800  0.34921800  0.24207000  1
  O  O65  1  0.83036700  0.41455300  0.22215800  1
  O  O66  1  0.33036700  0.58544700  0.27784200  1
  O  O67  1  0.64976800  0.65078200  0.25793000  1
  O  O68  1  0.46176900  0.83282100  0.12128500  1
  O  O69  1  0.67819800  0.96485300  0.02971800  1
