# generated using pymatgen
data_VNiH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86578018
_cell_length_b   11.62606558
_cell_length_c   12.29256017
_cell_angle_alpha   118.35532368
_cell_angle_beta   100.17015622
_cell_angle_gamma   89.89378463
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiH28C32(NO3)4
_chemical_formula_sum   'V1 Ni1 H28 C32 N4 O12'
_cell_volume   969.33960610
_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
  V  V0  1  0.99999884  0.99999927  0.49999868  1
  Ni  Ni1  1  0.50000195  0.50000066  0.50000135  1
  H  H2  1  0.83631171  0.90542842  0.61889210  1
  H  H3  1  0.65872430  0.28660434  0.38033073  1
  H  H4  1  0.16368715  0.09457075  0.38110627  1
  H  H5  1  0.34127885  0.71339666  0.61967059  1
  H  H6  1  0.02386882  0.84556498  0.61450387  1
  H  H7  1  0.47386220  0.23315670  0.38515185  1
  H  H8  1  0.97613104  0.15443512  0.38549493  1
  H  H9  1  0.52614089  0.76684375  0.61484943  1
  H  H10  1  0.76625217  0.94221695  0.25517067  1
  H  H11  1  0.72988689  0.68802544  0.74545186  1
  H  H12  1  0.23374680  0.05778262  0.74482719  1
  H  H13  1  0.27011500  0.31197659  0.25455451  1
  H  H14  1  0.57786597  0.75374215  0.07822652  1
  H  H15  1  0.91835141  0.67789163  0.92315755  1
  H  H16  1  0.42213430  0.24625771  0.92176989  1
  H  H17  1  0.08164632  0.32210798  0.07684889  1
  H  H18  1  0.79344535  0.51210730  0.24018719  1
  H  H19  1  0.70689732  0.27215581  0.75714610  1
  H  H20  1  0.20654871  0.48789189  0.75980985  1
  H  H21  1  0.29310313  0.72784209  0.24285275  1
  H  H22  1  0.98747556  0.70596838  0.40386103  1
  H  H23  1  0.51457598  0.30367424  0.59422283  1
  H  H24  1  0.01251879  0.29403031  0.59613707  1
  H  H25  1  0.48542667  0.69632664  0.40577689  1
  H  H26  1  0.57201694  0.41129740  0.05539497  1
  H  H27  1  0.92914264  0.35569117  0.94241923  1
  H  H28  1  0.42797977  0.58870244  0.94460130  1
  H  H29  1  0.07085584  0.64430658  0.05758293  1
  C  C30  1  0.76935764  0.84506724  0.24793299  1
  C  C31  1  0.72853830  0.59798340  0.75202253  1
  C  C32  1  0.23064082  0.15493218  0.75206436  1
  C  C33  1  0.27146304  0.40201771  0.24798213  1
  C  C34  1  0.66335769  0.73941135  0.15003508  1
  C  C35  1  0.83470025  0.59095965  0.85057267  1
  C  C36  1  0.33664090  0.26058833  0.84996178  1
  C  C37  1  0.16529915  0.40903997  0.14943192  1
  C  C38  1  0.66758004  0.61556578  0.14537573  1
  C  C39  1  0.83210148  0.47129169  0.85423169  1
  C  C40  1  0.33241696  0.38443404  0.85462107  1
  C  C41  1  0.16789804  0.52870689  0.14577083  1
  C  C42  1  0.78577919  0.60590243  0.24036438  1
  C  C43  1  0.71489100  0.36634596  0.75818455  1
  C  C44  1  0.21421625  0.39409677  0.75963274  1
  C  C45  1  0.28510977  0.63365282  0.24181615  1
  C  C46  1  0.89154823  0.71478013  0.33309407  1
  C  C47  1  0.60984038  0.38324581  0.66564012  1
  C  C48  1  0.10844750  0.28521871  0.66690353  1
  C  C49  1  0.39016187  0.61675458  0.33436106  1
  C  C50  1  0.62167008  0.03660437  0.50292006  1
  C  C51  1  0.87734462  0.53353118  0.49742309  1
  C  C52  1  0.37832770  0.96339619  0.49708015  1
  C  C53  1  0.12265899  0.46647006  0.50257950  1
  C  C54  1  0.55650983  0.94548207  0.54095898  1
  C  C55  1  0.94455884  0.40421552  0.45944502  1
  C  C56  1  0.44348803  0.05451855  0.45904133  1
  C  C57  1  0.05544446  0.59578583  0.54055750  1
  C  C58  1  0.55869855  0.50126511  0.04850777  1
  C  C59  1  0.94147712  0.45321880  0.95084726  1
  C  C60  1  0.44129832  0.49873483  0.95148869  1
  C  C61  1  0.05852165  0.54677912  0.04915524  1
  N  N62  1  0.88055856  0.83529913  0.34134427  1
  N  N63  1  0.61975303  0.49522881  0.65874798  1
  N  N64  1  0.11943909  0.16469972  0.65865319  1
  N  N65  1  0.38024965  0.50477251  0.34125496  1
  O  O66  1  0.96111485  0.92086914  0.61511109  1
  O  O67  1  0.53495835  0.30523958  0.38117723  1
  O  O68  1  0.03888357  0.07912979  0.38488638  1
  O  O69  1  0.46504494  0.69476153  0.61882525  1
  O  O70  1  0.76965848  0.08666097  0.51137207  1
  O  O71  1  0.73162198  0.57521150  0.48497642  1
  O  O72  1  0.23033918  0.91333776  0.48862555  1
  O  O73  1  0.26838153  0.42479017  0.51502685  1
  O  O74  1  0.62824043  0.88908924  0.60105131  1
  O  O75  1  0.87405033  0.28765990  0.39999748  1
  O  O76  1  0.37175821  0.11091155  0.39894881  1
  O  O77  1  0.12595284  0.71234136  0.60000165  1
