# generated using pymatgen
data_VFeH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88427004
_cell_length_b   11.63830013
_cell_length_c   12.31056820
_cell_angle_alpha   118.32072901
_cell_angle_beta   100.12216852
_cell_angle_gamma   89.90902164
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeH28C32(NO3)4
_chemical_formula_sum   'V1 Fe1 H28 C32 N4 O12'
_cell_volume   974.55651189
_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
  Fe  Fe0  1  0.99999885  0.99999979  0.49999869  1
  V  V1  1  0.50000166  0.50000049  0.50000135  1
  H  H2  1  0.84368497  0.90830070  0.62636774  1
  H  H3  1  0.66241497  0.28621366  0.37994722  1
  H  H4  1  0.15631439  0.09169869  0.37363070  1
  H  H5  1  0.33758796  0.71378714  0.62005396  1
  H  H6  1  0.02627662  0.84639742  0.62132943  1
  H  H7  1  0.47711346  0.23104977  0.38752803  1
  H  H8  1  0.97372314  0.15360233  0.37866839  1
  H  H9  1  0.52288942  0.76895088  0.61247381  1
  H  H10  1  0.76464175  0.93843899  0.25188537  1
  H  H11  1  0.73144982  0.69030532  0.74901606  1
  H  H12  1  0.23535620  0.06156066  0.74811217  1
  H  H13  1  0.26855215  0.30969609  0.25098938  1
  H  H14  1  0.57553200  0.74961062  0.07626004  1
  H  H15  1  0.91934297  0.67666225  0.92396650  1
  H  H16  1  0.42446756  0.25038888  0.92373624  1
  H  H17  1  0.08065490  0.32333738  0.07603924  1
  H  H18  1  0.79764565  0.51131719  0.24090281  1
  H  H19  1  0.70638851  0.27192131  0.75640495  1
  H  H20  1  0.20234906  0.48868218  0.75909427  1
  H  H21  1  0.29361205  0.72807663  0.24359420  1
  H  H22  1  0.98798438  0.70708566  0.40229192  1
  H  H23  1  0.51002797  0.30646590  0.59724371  1
  H  H24  1  0.01201031  0.29291343  0.59770607  1
  H  H25  1  0.48997430  0.69353442  0.40275653  1
  H  H26  1  0.57043848  0.40898948  0.05337023  1
  H  H27  1  0.93061208  0.35532943  0.94233756  1
  H  H28  1  0.42955780  0.59101031  0.94662628  1
  H  H29  1  0.06938696  0.64466865  0.05766457  1
  C  C30  1  0.76708073  0.84196394  0.24558828  1
  C  C31  1  0.72950751  0.59942397  0.75428240  1
  C  C32  1  0.23291683  0.15803563  0.75440913  1
  C  C33  1  0.27049385  0.40057698  0.24572196  1
  C  C34  1  0.66165689  0.73585505  0.14790745  1
  C  C35  1  0.83468935  0.59065005  0.85150958  1
  C  C36  1  0.33834109  0.26414445  0.85208924  1
  C  C37  1  0.16531003  0.40934942  0.14849457  1
  C  C38  1  0.66783717  0.61274888  0.14420077  1
  C  C39  1  0.83178165  0.47087160  0.85476085  1
  C  C40  1  0.33215950  0.38725062  0.85579592  1
  C  C41  1  0.16821788  0.52912704  0.14524156  1
  C  C42  1  0.78697984  0.60397865  0.23934464  1
  C  C43  1  0.71407362  0.36671243  0.75892465  1
  C  C44  1  0.21301564  0.39602074  0.76065267  1
  C  C45  1  0.28592732  0.63328630  0.24107638  1
  C  C46  1  0.89065913  0.71423674  0.33152089  1
  C  C47  1  0.60792240  0.38429324  0.66744148  1
  C  C48  1  0.10933627  0.28576245  0.66847675  1
  C  C49  1  0.39207967  0.61570669  0.33255961  1
  C  C50  1  0.62159053  0.04039252  0.50727209  1
  C  C51  1  0.87813472  0.53303864  0.49642257  1
  C  C52  1  0.37840877  0.95960844  0.49272817  1
  C  C53  1  0.12186827  0.46696246  0.50358118  1
  C  C54  1  0.55614053  0.94723205  0.54317658  1
  C  C55  1  0.94471044  0.40439363  0.45872688  1
  C  C56  1  0.44385873  0.05276902  0.45682406  1
  C  C57  1  0.05529262  0.59560726  0.54127659  1
  C  C58  1  0.55843180  0.49943668  0.04751741  1
  C  C59  1  0.94176173  0.45294065  0.95100486  1
  C  C60  1  0.44156480  0.50056309  0.95247908  1
  C  C61  1  0.05823740  0.54705753  0.04899766  1
  N  N62  1  0.87637224  0.83266102  0.33824527  1
  N  N63  1  0.61990999  0.49644774  0.65952752  1
  N  N64  1  0.12362446  0.16733818  0.66175246  1
  N  N65  1  0.38009297  0.50355326  0.34047520  1
  O  O66  1  0.96707796  0.92290227  0.62407467  1
  O  O67  1  0.53850248  0.30531598  0.38575624  1
  O  O68  1  0.03292105  0.07709683  0.37592276  1
  O  O69  1  0.46150061  0.69468492  0.61424633  1
  O  O70  1  0.76704710  0.09188842  0.51642289  1
  O  O71  1  0.72991384  0.57399701  0.48807430  1
  O  O72  1  0.23295167  0.90811149  0.48357510  1
  O  O73  1  0.27008918  0.42600404  0.51192841  1
  O  O74  1  0.62542235  0.89090139  0.60354499  1
  O  O75  1  0.87262093  0.28828591  0.39340696  1
  O  O76  1  0.37457736  0.10909961  0.39645517  1
  O  O77  1  0.12738185  0.71171523  0.60659193  1
