# generated using pymatgen
data_VFeH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41098286
_cell_length_b   9.52737387
_cell_length_c   9.53138352
_cell_angle_alpha   81.79232988
_cell_angle_beta   75.38533183
_cell_angle_gamma   75.78566423
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeH20C28(N3O2)4
_chemical_formula_sum   'V1 Fe1 H20 C28 N12 O8'
_cell_volume   798.65352754
_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  0.73986521  0.94988557  0.71629458  1
  Fe  Fe1  1  0.24022621  0.71341730  0.94611162  1
  H  H2  1  0.38759638  0.01352724  0.61040921  1
  H  H3  1  0.88989218  0.61119667  0.02509438  1
  H  H4  1  0.59699717  0.48881744  0.77876147  1
  H  H5  1  0.10448240  0.77185342  0.48679411  1
  H  H6  1  0.87288087  0.87655395  0.17761804  1
  H  H7  1  0.36808395  0.17665466  0.88162133  1
  H  H8  1  0.07797495  0.31079843  0.24768839  1
  H  H9  1  0.57924180  0.24477512  0.29695292  1
  H  H10  1  0.58956092  0.92425199  0.08274726  1
  H  H11  1  0.08368639  0.08699963  0.92412429  1
  H  H12  1  0.96181107  0.11357439  0.40638554  1
  H  H13  1  0.46620349  0.40842868  0.10255225  1
  H  H14  1  0.78823310  0.63170889  0.53560603  1
  H  H15  1  0.29533610  0.52891069  0.62419908  1
  H  H16  1  0.21088161  0.03082090  0.44855065  1
  H  H17  1  0.71000904  0.45482624  0.03234554  1
  H  H18  1  0.31015175  0.98451041  0.18623965  1
  H  H19  1  0.80495388  0.19295812  0.98292826  1
  H  H20  1  0.98622172  0.56817699  0.30822142  1
  H  H21  1  0.49114711  0.30178814  0.55583216  1
  C  C22  1  0.42865873  0.99392606  0.49604104  1
  C  C23  1  0.92941798  0.49784155  0.00228508  1
  C  C24  1  0.44596552  0.90084717  0.86486285  1
  C  C25  1  0.94296439  0.86900215  0.90317743  1
  C  C26  1  0.54864813  0.74913081  0.83389237  1
  C  C27  1  0.04162887  0.82520953  0.75277300  1
  C  C28  1  0.98979605  0.33716534  0.34526364  1
  C  C29  1  0.49290624  0.34271292  0.32542403  1
  C  C30  1  0.54308615  0.94293531  0.19673517  1
  C  C31  1  0.03837907  0.20041080  0.94465919  1
  C  C32  1  0.82186611  0.26372798  0.56031081  1
  C  C33  1  0.32777031  0.56045283  0.25567321  1
  C  C34  1  0.93020361  0.22599123  0.43352571  1
  C  C35  1  0.43450440  0.43375244  0.21565325  1
  C  C36  1  0.82845195  0.52036224  0.50594460  1
  C  C37  1  0.33519615  0.50059399  0.51223913  1
  C  C38  1  0.77166822  0.40805150  0.59521650  1
  C  C39  1  0.27907724  0.59165452  0.40151014  1
  C  C40  1  0.63907704  0.93221148  0.29018551  1
  C  C41  1  0.13615789  0.29132001  0.93766462  1
  C  C42  1  0.33199567  0.00372014  0.40412570  1
  C  C43  1  0.83077023  0.40878243  0.00682201  1
  C  C44  1  0.38805387  0.97846110  0.25579203  1
  C  C45  1  0.88395614  0.26110712  0.97914464  1
  C  C46  1  0.93870112  0.48280840  0.38006702  1
  C  C47  1  0.44372542  0.37499173  0.47195802  1
  C  C48  1  0.58336912  0.95767271  0.43672792  1
  C  C49  1  0.08385492  0.43674199  0.96790527  1
  N  N50  1  0.83195018  0.91477692  0.39493119  1
  N  N51  1  0.33232717  0.39072467  0.92589457  1
  N  N52  1  0.64808644  0.26548527  0.76605726  1
  N  N53  1  0.15457967  0.76535537  0.26357581  1
  N  N54  1  0.70737978  0.94375855  0.49709082  1
  N  N55  1  0.21003329  0.49231298  0.95917798  1
  N  N56  1  0.66527918  0.40049568  0.72330182  1
  N  N57  1  0.17495856  0.72079535  0.39789575  1
  N  N58  1  0.74230956  0.18008631  0.66931434  1
  N  N59  1  0.24910689  0.67281162  0.17570575  1
  N  N60  1  0.79271676  0.90427103  0.27299116  1
  N  N61  1  0.28984615  0.27037542  0.91283190  1
  O  O62  1  0.48922808  0.63997724  0.87185585  1
  O  O63  1  0.97420106  0.86384237  0.64773168  1
  O  O64  1  0.50973728  0.00828483  0.81986967  1
  O  O65  1  0.99943212  0.82661590  0.01301519  1
  O  O66  1  0.31049806  0.90967592  0.92942844  1
  O  O67  1  0.80999982  0.94289196  0.90499478  1
  O  O68  1  0.68472464  0.74736150  0.76923017  1
  O  O69  1  0.17495938  0.75543858  0.74380948  1
