# generated using pymatgen
data_NiH12C20(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19727043
_cell_length_b   10.06425480
_cell_length_c   10.06321025
_cell_angle_alpha   60.95307350
_cell_angle_beta   85.47551104
_cell_angle_gamma   85.47362940
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH12C20(NO2)2
_chemical_formula_sum   'Ni2 H24 C40 N4 O8'
_cell_volume   810.90754706
_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  0.47879142  0.44283628  0.31657418  1
  Ni  Ni1  1  0.97882147  0.31656343  0.44281695  1
  H  H2  1  0.96013700  0.97936121  0.39891891  1
  H  H3  1  0.46017896  0.39892994  0.97933641  1
  H  H4  1  0.96138621  0.72575587  0.41167509  1
  H  H5  1  0.46146221  0.41169083  0.72570221  1
  H  H6  1  0.49768705  0.78036461  0.35941282  1
  H  H7  1  0.99775448  0.35945931  0.78024872  1
  H  H8  1  0.49649484  0.03406094  0.34642477  1
  H  H9  1  0.99654921  0.34641448  0.03400069  1
  H  H10  1  0.21292848  0.65007943  0.37318611  1
  H  H11  1  0.71308735  0.37322231  0.65001372  1
  H  H12  1  0.12670742  0.91969690  0.24114563  1
  H  H13  1  0.62675239  0.24116795  0.91963651  1
  H  H14  1  0.22449491  0.09196170  0.97486426  1
  H  H15  1  0.72446673  0.97487354  0.09193335  1
  H  H16  1  0.38641876  0.11903625  0.75103948  1
  H  H17  1  0.88639066  0.75104885  0.11904727  1
  H  H18  1  0.56844826  0.00595964  0.63858741  1
  H  H19  1  0.06843339  0.63857857  0.00600283  1
  H  H20  1  0.73171756  0.78246940  0.66710044  1
  H  H21  1  0.23172813  0.66705972  0.78251981  1
  H  H22  1  0.83133312  0.51746207  0.84087012  1
  H  H23  1  0.33135516  0.84078309  0.51748649  1
  H  H24  1  0.74549741  0.38667040  0.11068788  1
  H  H25  1  0.24551523  0.11057736  0.38663463  1
  C  C26  1  0.72576992  0.17461617  0.37348056  1
  C  C27  1  0.22578702  0.37342406  0.17461356  1
  C  C28  1  0.72736101  0.02299720  0.37502249  1
  C  C29  1  0.22740684  0.37500907  0.02295921  1
  C  C30  1  0.85815027  0.93625226  0.38968415  1
  C  C31  1  0.35820259  0.38967323  0.93621931  1
  C  C32  1  0.85949472  0.79412736  0.39565826  1
  C  C33  1  0.35956649  0.39565636  0.79407433  1
  C  C34  1  0.73041692  0.73652029  0.38371857  1
  C  C35  1  0.23048831  0.38372949  0.73644545  1
  C  C36  1  0.59966471  0.82335415  0.36884984  1
  C  C37  1  0.09973182  0.36885573  0.82327338  1
  C  C38  1  0.59832848  0.96553187  0.36276697  1
  C  C39  1  0.09838510  0.36275232  0.96547398  1
  C  C40  1  0.73190943  0.58468547  0.38572760  1
  C  C41  1  0.23197972  0.38568154  0.58462784  1
  C  C42  1  0.26177155  0.72646449  0.26213330  1
  C  C43  1  0.76188170  0.26214147  0.72643273  1
  C  C44  1  0.21018525  0.87866510  0.18534027  1
  C  C45  1  0.71023674  0.18535672  0.87862153  1
  C  C46  1  0.26354423  0.97387498  0.03940918  1
  C  C47  1  0.76355987  0.03942262  0.97384864  1
  C  C48  1  0.36981665  0.91521228  0.97114600  1
  C  C49  1  0.86983750  0.97114933  0.91520309  1
  C  C50  1  0.42659793  0.00135978  0.81921973  1
  C  C51  1  0.92658754  0.81922478  0.00136863  1
  C  C52  1  0.52862839  0.93828240  0.75648463  1
  C  C53  1  0.02862400  0.75647205  0.93831390  1
  C  C54  1  0.58614385  0.78679440  0.84342064  1
  C  C55  1  0.08616341  0.84338296  0.78681984  1
  C  C56  1  0.69290956  0.71843872  0.78533016  1
  C  C57  1  0.19292121  0.78528249  0.71846788  1
  C  C58  1  0.74725195  0.57319295  0.88136339  1
  C  C59  1  0.24727229  0.88128952  0.57320766  1
  C  C60  1  0.69597586  0.49713256  0.03371176  1
  C  C61  1  0.19600633  0.03362501  0.49712333  1
  C  C62  1  0.53444031  0.69852622  0.99820292  1
  C  C63  1  0.03448882  0.99816405  0.69852895  1
  C  C64  1  0.42199649  0.76073056  0.06014083  1
  C  C65  1  0.92205992  0.06012931  0.76072172  1
  N  N66  1  0.58889070  0.55561993  0.09189648  1
  N  N67  1  0.08894487  0.09183341  0.55561110  1
  N  N68  1  0.36831884  0.66772158  0.20360334  1
  N  N69  1  0.86843158  0.20360555  0.66770752  1
  O  O70  1  0.60816229  0.52660391  0.41075846  1
  O  O71  1  0.10824432  0.41075021  0.52650966  1
  O  O72  1  0.85429840  0.52835641  0.36513193  1
  O  O73  1  0.35437197  0.36498065  0.52836827  1
  O  O74  1  0.84950456  0.23259662  0.34887914  1
  O  O75  1  0.34951038  0.34883069  0.23262247  1
  O  O76  1  0.60331971  0.23085459  0.39405760  1
  O  O77  1  0.10331602  0.39398111  0.23084032  1
