# generated using pymatgen
data_Li2CuP6H20C2(N3O11)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62793200
_cell_length_b   9.34574781
_cell_length_c   9.57439810
_cell_angle_alpha   85.23737857
_cell_angle_beta   109.44557946
_cell_angle_gamma   108.04441396
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuP6H20C2(N3O11)2
_chemical_formula_sum   'Li2 Cu1 P6 H20 C2 N6 O22'
_cell_volume   611.80421808
_cell_formula_units_Z   1
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  0.17378600  0.94103200  0.84861600  1
  Li  Li1  1  0.82621400  0.05896800  0.15138400  1
  Cu  Cu2  1  0.50000000  0.50000000  0.50000000  1
  P  P3  1  0.32629900  0.20162100  0.65545100  1
  P  P4  1  0.67370100  0.79837900  0.34454900  1
  P  P5  1  0.56957100  0.00319700  0.79710400  1
  P  P6  1  0.43042900  0.99680300  0.20289600  1
  P  P7  1  0.72351700  0.82011400  0.65607600  1
  P  P8  1  0.27648300  0.17988600  0.34392400  1
  H  H9  1  0.85912900  0.70920600  0.95349600  1
  H  H10  1  0.14087100  0.29079400  0.04650400  1
  H  H11  1  0.19077800  0.27408700  0.88390200  1
  H  H12  1  0.80922200  0.72591300  0.11609800  1
  H  H13  1  0.67876300  0.50954500  0.23534400  1
  H  H14  1  0.32123700  0.49045500  0.76465600  1
  H  H15  1  0.63354000  0.33156300  0.16461800  1
  H  H16  1  0.36646000  0.66843700  0.83538200  1
  H  H17  1  0.72191800  0.30844900  0.95578800  1
  H  H18  1  0.27808200  0.69155100  0.04421200  1
  H  H19  1  0.79558900  0.46491600  0.85569900  1
  H  H20  1  0.20441100  0.53508400  0.14430100  1
  H  H21  1  0.79513700  0.22856800  0.41059000  1
  H  H22  1  0.20486300  0.77143200  0.58941000  1
  H  H23  1  0.07849800  0.80332100  0.43074500  1
  H  H24  1  0.92150200  0.19667900  0.56925500  1
  H  H25  1  0.16301900  0.59718200  0.39713300  1
  H  H26  1  0.83698100  0.40281800  0.60286700  1
  H  H27  1  0.10055100  0.42498700  0.36898000  1
  H  H28  1  0.89944900  0.57501300  0.63102000  1
  C  C29  1  0.75770000  0.50850500  0.05072100  1
  C  C30  1  0.24230000  0.49149500  0.94927900  1
  N  N31  1  0.81246000  0.65861400  0.03905300  1
  N  N32  1  0.18754000  0.34138600  0.96094700  1
  N  N33  1  0.30230600  0.55485700  0.83624000  1
  N  N34  1  0.69769400  0.44514300  0.16376000  1
  N  N35  1  0.76598700  0.42175600  0.95012800  1
  N  N36  1  0.23401300  0.57824400  0.04987200  1
  O  O37  1  0.80576100  0.86423500  0.25429200  1
  O  O38  1  0.19423900  0.13576500  0.74570800  1
  O  O39  1  0.38310900  0.37091300  0.64174200  1
  O  O40  1  0.61689100  0.62908700  0.35825800  1
  O  O41  1  0.52602400  0.15629100  0.71795800  1
  O  O42  1  0.47397600  0.84370900  0.28204200  1
  O  O43  1  0.77941400  0.87840600  0.50695400  1
  O  O44  1  0.22058600  0.12159400  0.49304600  1
  O  O45  1  0.37972900  0.88382000  0.78842300  1
  O  O46  1  0.62027100  0.11618000  0.21157700  1
  O  O47  1  0.27176000  0.94975400  0.05915300  1
  O  O48  1  0.72824000  0.05024600  0.94084700  1
  O  O49  1  0.65817600  0.96241000  0.67865900  1
  O  O50  1  0.34182400  0.03759000  0.32134100  1
  O  O51  1  0.09511900  0.18755700  0.22335600  1
  O  O52  1  0.90488100  0.81244300  0.77664400  1
  O  O53  1  0.45373500  0.31764400  0.37920500  1
  O  O54  1  0.54626500  0.68235600  0.62079500  1
  O  O55  1  0.10591900  0.72209000  0.49741400  1
  O  O56  1  0.89408100  0.27791000  0.50258600  1
  O  O57  1  0.18672700  0.51904900  0.34683600  1
  O  O58  1  0.81327300  0.48095100  0.65316400  1
