# generated using pymatgen
data_Ni3H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86395443
_cell_length_b   10.85854979
_cell_length_c   10.84994135
_cell_angle_alpha   89.22119129
_cell_angle_beta   89.01721403
_cell_angle_gamma   63.77782638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3H8C14(NO)6
_chemical_formula_sum   'Ni6 H16 C28 N12 O12'
_cell_volume   1148.01688385
_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  0.89861932  0.10163085  0.25007493  1
  Ni  Ni1  1  0.10138073  0.89837192  0.74992356  1
  Ni  Ni2  1  0.85931404  0.98341120  -0.00606049  1
  Ni  Ni3  1  0.01654291  0.14079193  0.50624661  1
  Ni  Ni4  1  0.14068747  0.01658736  1.00605964  1
  Ni  Ni5  1  0.98345300  0.85921283  0.49375230  1
  H  H6  1  0.53729037  0.16715908  0.41291055  1
  H  H7  1  0.83166152  0.46316173  0.08817644  1
  H  H8  1  0.46271255  0.83283055  0.58709377  1
  H  H9  1  0.16834358  0.53683936  0.91182100  1
  H  H10  1  0.33243564  0.15547495  0.51106458  1
  H  H11  1  0.84259960  0.66803278  0.98976518  1
  H  H12  1  0.66756134  0.84452360  0.48893666  1
  H  H13  1  0.15740778  0.33196721  0.01023291  1
  H  H14  1  0.42502664  0.07408172  0.05634757  1
  H  H15  1  0.92945110  0.57500606  0.44308435  1
  H  H16  1  0.57497349  0.92591506  0.94365312  1
  H  H17  1  0.07054079  0.42500016  0.55691603  1
  H  H18  1  0.87755420  0.20487730  0.04414410  1
  H  H19  1  0.79538976  0.12257238  0.45627169  1
  H  H20  1  0.12244587  0.79512384  0.95585210  1
  H  H21  1  0.20460597  0.87743229  0.54372651  1
  C  C22  1  0.62639419  0.11665376  0.17461224  1
  C  C23  1  0.88401733  0.37398667  0.32591627  1
  C  C24  1  0.37360974  0.88333604  0.82539065  1
  C  C25  1  0.11597908  0.62601704  0.67408180  1
  C  C26  1  0.49777406  0.11655377  0.22928308  1
  C  C27  1  0.88420749  0.50242630  0.27106294  1
  C  C28  1  0.50222881  0.88343910  0.77071909  1
  C  C29  1  0.11579065  0.49757739  0.72893643  1
  C  C30  1  0.46859496  0.14260313  0.35715306  1
  C  C31  1  0.85691276  0.53173786  0.14354867  1
  C  C32  1  0.53140658  0.85738896  0.64285038  1
  C  C33  1  0.14308985  0.46826371  0.85644997  1
  C  C34  1  0.35469114  0.13742260  0.41291803  1
  C  C35  1  0.86167699  0.64563636  0.08764322  1
  C  C36  1  0.64530769  0.86257388  0.58708391  1
  C  C37  1  0.13832863  0.35436387  0.91235524  1
  C  C38  1  0.26791594  0.10708057  0.33848390  1
  C  C39  1  0.89295429  0.73235606  0.16151823  1
  C  C40  1  0.73208155  0.89291854  0.66151705  1
  C  C41  1  0.10705056  0.26764401  0.83848059  1
  C  C42  1  0.29401670  0.08436897  0.21143398  1
  C  C43  1  0.91733554  0.70586517  0.28813168  1
  C  C44  1  0.70598377  0.91562887  0.78856682  1
  C  C45  1  0.08266423  0.29413752  0.71186797  1
  C  C46  1  0.40831680  0.08993214  0.15512509  1
  C  C47  1  0.91214284  0.59160687  0.34461022  1
  C  C48  1  0.59168667  0.91006231  0.84487623  1
  C  C49  1  0.08785230  0.40839756  0.65538950  1
  N  N50  1  0.15487195  0.08599531  0.36576113  1
  N  N51  1  0.91365847  0.84554320  0.13404803  1
  N  N52  1  0.84512173  0.91401008  0.63423751  1
  N  N53  1  0.08634850  0.15445554  0.86595118  1
  N  N54  1  0.11425133  0.05031081  0.26250284  1
  N  N55  1  0.95068195  0.88587244  0.23676078  1
  N  N56  1  0.88574476  0.94969224  0.73749569  1
  N  N57  1  0.04932088  0.11412841  0.76324016  1
  N  N58  1  0.19293813  0.05287641  0.16756175  1
  N  N59  1  0.94947765  0.80670758  0.33164018  1
  N  N60  1  0.80706161  0.94712515  0.83243762  1
  N  N61  1  0.05052184  0.19329466  0.66836027  1
  O  O62  1  0.92892733  0.10892835  0.06826920  1
  O  O63  1  0.89136944  0.07109265  0.43186541  1
  O  O64  1  0.07107288  0.89107300  0.93172828  1
  O  O65  1  0.10862640  0.92891253  0.56813335  1
  O  O66  1  0.69495749  0.15186457  0.24797862  1
  O  O67  1  0.84804323  0.30552944  0.25298544  1
  O  O68  1  0.30504161  0.84813265  0.75202359  1
  O  O69  1  0.15195325  0.69447458  0.74701233  1
  O  O70  1  0.65665373  0.08109356  0.06254288  1
  O  O71  1  0.92014599  0.34382724  0.43764752  1
  O  O72  1  0.34335100  0.91889294  0.93746075  1
  O  O73  1  0.07985055  0.65617623  0.56235053  1
