# generated using pymatgen
data_NiH10C14(N3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11718837
_cell_length_b   9.35076096
_cell_length_c   9.35075410
_cell_angle_alpha   81.16751730
_cell_angle_beta   75.71302625
_cell_angle_gamma   75.71317305
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH10C14(N3O2)2
_chemical_formula_sum   'Ni2 H20 C28 N12 O8'
_cell_volume   744.97717531
_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
  Ni  Ni0  1  0.74114165  0.94995639  0.71160420  1
  Ni  Ni1  1  0.24113903  0.71160284  0.94996522  1
  H  H2  1  0.37855404  0.02421774  0.61962562  1
  H  H3  1  0.87855870  0.61962541  0.02421346  1
  H  H4  1  0.60075366  0.48455046  0.78083858  1
  H  H5  1  0.10074657  0.78084002  0.48456574  1
  H  H6  1  0.87333687  0.87937629  0.17780009  1
  H  H7  1  0.37334053  0.17779697  0.87937643  1
  H  H8  1  0.08615948  0.30517766  0.23946124  1
  H  H9  1  0.58616625  0.23947465  0.30518321  1
  H  H10  1  0.58510297  0.93276480  0.08464358  1
  H  H11  1  0.08510320  0.08464696  0.93274498  1
  H  H12  1  0.96656116  0.10331550  0.40190478  1
  H  H13  1  0.46655850  0.40190997  0.10332468  1
  H  H14  1  0.79263415  0.62807297  0.53552808  1
  H  H15  1  0.29261960  0.53552457  0.62808519  1
  H  H16  1  0.19613055  0.03755718  0.45725936  1
  H  H17  1  0.69613397  0.45726549  0.03753716  1
  H  H18  1  0.29658927  0.99197229  0.18832130  1
  H  H19  1  0.79658897  0.18832952  0.99194509  1
  H  H20  1  0.99122409  0.56792746  0.29928728  1
  H  H21  1  0.49122661  0.29929434  0.56793584  1
  C  C22  1  0.42138370  0.00292496  0.50381496  1
  C  C23  1  0.92138794  0.50381555  0.00291756  1
  C  C24  1  0.44298676  0.90283705  0.86505315  1
  C  C25  1  0.94298714  0.86504743  0.90284196  1
  C  C26  1  0.54764071  0.74928024  0.82938787  1
  C  C27  1  0.04764404  0.82938792  0.74928545  1
  C  C28  1  0.99615140  0.33141387  0.33901481  1
  C  C29  1  0.49614920  0.33902134  0.33142258  1
  C  C30  1  0.53597738  0.95122526  0.20017349  1
  C  C31  1  0.03597837  0.20017665  0.95120686  1
  C  C32  1  0.82780740  0.25422515  0.56124633  1
  C  C33  1  0.32779405  0.56124537  0.25423748  1
  C  C34  1  0.93537221  0.21749530  0.43002224  1
  C  C35  1  0.43536438  0.43002485  0.21750572  1
  C  C36  1  0.83483710  0.51589635  0.50354835  1
  C  C37  1  0.33482669  0.50354754  0.51590785  1
  C  C38  1  0.77928973  0.40083184  0.59605937  1
  C  C39  1  0.27927545  0.59605708  0.40084461  1
  C  C40  1  0.63517051  0.93843642  0.29526368  1
  C  C41  1  0.13517293  0.29526497  0.93842294  1
  C  C42  1  0.32076272  0.01183510  0.41064552  1
  C  C43  1  0.82076561  0.41064900  0.01182111  1
  C  C44  1  0.37648380  0.98691594  0.25982020  1
  C  C45  1  0.87648507  0.25982499  0.98689645  1
  C  C46  1  0.94487688  0.47960866  0.37362685  1
  C  C47  1  0.44487368  0.37363088  0.47961824  1
  C  C48  1  0.58118145  0.96591900  0.44381395  1
  C  C49  1  0.08118531  0.44381380  0.96591060  1
  N  N50  1  0.83805487  0.92087625  0.39622305  1
  N  N51  1  0.33805816  0.39621790  0.92088021  1
  N  N52  1  0.65148684  0.25782719  0.77229991  1
  N  N53  1  0.15147428  0.77229945  0.25784066  1
  N  N54  1  0.71275505  0.95446087  0.49971491  1
  N  N55  1  0.21276022  0.49971212  0.95445860  1
  N  N56  1  0.67316635  0.39464397  0.72802111  1
  N  N57  1  0.17315301  0.72801895  0.39465734  1
  N  N58  1  0.74558312  0.17123997  0.67560612  1
  N  N59  1  0.24557116  0.67560618  0.17125273  1
  N  N60  1  0.79323939  0.91146065  0.27392182  1
  N  N61  1  0.29324195  0.27392019  0.91145443  1
  O  O62  1  0.48308714  0.63891959  0.87208546  1
  O  O63  1  0.98309219  0.87208614  0.63892340  1
  O  O64  1  0.50527264  0.01405726  0.81942331  1
  O  O65  1  1.00527329  0.81942065  0.01406227  1
  O  O66  1  0.30451004  0.90899244  0.93429619  1
  O  O67  1  0.80450812  0.93428343  0.90899809  1
  O  O68  1  0.68598564  0.74372525  0.76093789  1
  O  O69  1  0.18598894  0.76094020  0.74373157  1
