# generated using pymatgen
data_V2NiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86475688
_cell_length_b   10.86025451
_cell_length_c   10.85259880
_cell_angle_alpha   89.23849752
_cell_angle_beta   89.03569862
_cell_angle_gamma   63.78531820
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2NiH8C14(NO)6
_chemical_formula_sum   'V4 Ni2 H16 C28 N12 O12'
_cell_volume   1148.64476667
_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
  V  V0  1  0.90417476  0.09505481  0.24425014  1
  V  V1  1  0.09582336  0.90494771  0.75574762  1
  Ni  Ni2  1  0.85397944  0.98099298  -0.00588522  1
  V  V3  1  0.01390655  0.14591561  0.50086018  1
  Ni  Ni4  1  0.14602355  0.01900521  1.00588393  1
  V  V5  1  0.98608996  0.85408971  0.49914019  1
  H  H6  1  0.53703950  0.16865537  0.41419017  1
  H  H7  1  0.83079052  0.46466932  0.08595090  1
  H  H8  1  0.46296238  0.83133436  0.58581469  1
  H  H9  1  0.16921470  0.53533226  0.91404599  1
  H  H10  1  0.33358800  0.15564798  0.51253739  1
  H  H11  1  0.84253850  0.66845476  0.98915271  1
  H  H12  1  0.66640711  0.84435061  0.48746323  1
  H  H13  1  0.15746869  0.33154664  0.01084598  1
  H  H14  1  0.42451964  0.07388418  0.05807449  1
  H  H15  1  0.92940130  0.57445943  0.44216749  1
  H  H16  1  0.57548349  0.92611285  0.94192767  1
  H  H17  1  0.07059097  0.42554601  0.55783322  1
  H  H18  1  0.87468910  0.20962286  0.03940824  1
  H  H19  1  0.78719723  0.12375131  0.46141176  1
  H  H20  1  0.12531134  0.79037972  0.96058821  1
  H  H21  1  0.21280005  0.87625298  0.53858647  1
  C  C22  1  0.62467839  0.11692055  0.17476421  1
  C  C23  1  0.88343727  0.37632084  0.32509594  1
  C  C24  1  0.37532341  0.88307030  0.82523963  1
  C  C25  1  0.11655955  0.62368202  0.67490162  1
  C  C26  1  0.49718263  0.11741232  0.23023789  1
  C  C27  1  0.88361668  0.50246519  0.26980299  1
  C  C28  1  0.50281962  0.88257951  0.76976517  1
  C  C29  1  0.11638175  0.49753768  0.73019634  1
  C  C30  1  0.46880867  0.14345289  0.35825625  1
  C  C31  1  0.85647811  0.53246518  0.14212192  1
  C  C32  1  0.53119227  0.85653933  0.64174716  1
  C  C33  1  0.14352498  0.46753651  0.85787698  1
  C  C34  1  0.35522882  0.13765733  0.41436055  1
  C  C35  1  0.86188695  0.64634985  0.08698686  1
  C  C36  1  0.64476943  0.86233908  0.58564076  1
  C  C37  1  0.13811867  0.35365070  0.91301200  1
  C  C38  1  0.26879865  0.10662226  0.34037285  1
  C  C39  1  0.89405758  0.73304618  0.16100268  1
  C  C40  1  0.73119905  0.89337651  0.65962716  1
  C  C41  1  0.10594755  0.26695399  0.83899739  1
  C  C42  1  0.29347488  0.08297384  0.21353772  1
  C  C43  1  0.91753450  0.70562192  0.28750189  1
  C  C44  1  0.70652510  0.91702359  0.78646244  1
  C  C45  1  0.08246353  0.29438116  0.71249895  1
  C  C46  1  0.40751567  0.08984955  0.15675636  1
  C  C47  1  0.91197558  0.59176498  0.34375749  1
  C  C48  1  0.59248546  0.91014515  0.84324565  1
  C  C49  1  0.08801991  0.40823882  0.65624292  1
  N  N50  1  0.15258520  0.09097166  0.36789257  1
  N  N51  1  0.91164085  0.84830962  0.13379562  1
  N  N52  1  0.84740974  0.90903320  0.63210434  1
  N  N53  1  0.08836898  0.15168798  0.86620450  1
  N  N54  1  0.10780105  0.05687515  0.26189213  1
  N  N55  1  0.94614952  0.89133319  0.23698372  1
  N  N56  1  0.89219567  0.94312844  0.73810414  1
  N  N57  1  0.05385481  0.10866724  0.76301730  1
  N  N58  1  0.19134501  0.05402630  0.16830944  1
  N  N59  1  0.94650307  0.80742330  0.33348750  1
  N  N60  1  0.80865391  0.94597564  0.83168827  1
  N  N61  1  0.05349410  0.19258061  0.66651466  1
  O  O62  1  0.92444114  0.11300193  0.06344726  1
  O  O63  1  0.88467858  0.07248352  0.43962254  1
  O  O64  1  0.07555820  0.88700052  0.93654869  1
  O  O65  1  0.11531915  0.92752057  0.56037685  1
  O  O66  1  0.69975880  0.14616956  0.24882725  1
  O  O67  1  0.85292758  0.30048378  0.25473436  1
  O  O68  1  0.30024078  0.85382816  0.75117376  1
  O  O69  1  0.14706905  0.69952063  0.74526134  1
  O  O70  1  0.65327904  0.08532669  0.06242004  1
  O  O71  1  0.91565284  0.34843942  0.43911440  1
  O  O72  1  0.34672654  0.91465740  0.93758487  1
  O  O73  1  0.08434204  0.65156436  0.56088366  1
