# generated using pymatgen
data_VFeH24C20(N3O4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32792310
_cell_length_b   11.85072573
_cell_length_c   13.33441961
_cell_angle_alpha   116.05840586
_cell_angle_beta   86.95035982
_cell_angle_gamma   90.01288683
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeH24C20(N3O4)4
_chemical_formula_sum   'V1 Fe1 H24 C20 N12 O16'
_cell_volume   1038.44588859
_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  0.49976964  0.50013349  0.50007047  1
  V  V1  1  1.00024659  0.99995055  0.50010570  1
  H  H2  1  0.44929993  0.28899882  0.58043019  1
  H  H3  1  0.05376577  0.70834667  0.42053720  1
  H  H4  1  0.55083923  0.71100432  0.41955372  1
  H  H5  1  0.95038810  0.29168910  0.57907462  1
  H  H6  1  0.45339385  0.26593229  0.75359339  1
  H  H7  1  0.04340902  0.51439076  0.24892855  1
  H  H8  1  0.54657067  0.73405407  0.24639912  1
  H  H9  1  0.95402025  0.48535611  0.75111301  1
  H  H10  1  0.53736910  0.66682942  0.93042109  1
  H  H11  1  0.96012933  0.73671831  0.07013252  1
  H  H12  1  0.46256784  0.33315740  0.06958758  1
  H  H13  1  0.03871179  0.26323280  0.93002832  1
  H  H14  1  0.53089105  0.67600755  0.74948300  1
  H  H15  1  0.97216133  0.92608611  0.24814762  1
  H  H16  1  0.46907696  0.32399497  0.25054433  1
  H  H17  1  0.03248632  0.07396168  0.75152155  1
  H  H18  1  0.39340570  0.74895718  0.59686419  1
  H  H19  1  0.10450099  0.15460299  0.40224656  1
  H  H20  1  0.60626673  0.25108820  0.40313480  1
  H  H21  1  0.89428806  0.84559739  0.59786356  1
  H  H22  1  0.21054722  0.67607081  0.59674378  1
  H  H23  1  0.28731019  0.07869169  0.40242178  1
  H  H24  1  0.78905900  0.32414041  0.40340347  1
  H  H25  1  0.71118639  0.92051619  0.59725482  1
  C  C26  1  0.46948863  0.37198852  0.65832842  1
  C  C27  1  0.03165457  0.71461027  0.34295373  1
  C  C28  1  0.53062989  0.62799273  0.34166808  1
  C  C29  1  0.97060312  0.28528506  0.65680461  1
  C  C30  1  0.47016991  0.35772490  0.75549484  1
  C  C31  1  0.02826988  0.60397122  0.24613769  1
  C  C32  1  0.52982286  0.64225416  0.24450163  1
  C  C33  1  0.97153642  0.39588006  0.75379324  1
  C  C34  1  0.49307252  0.46436500  0.85609189  1
  C  C35  1  0.00471710  0.60890857  0.14467224  1
  C  C36  1  0.50682220  0.53562370  0.14391132  1
  C  C37  1  0.99412646  0.39097894  0.85538049  1
  C  C38  1  0.51667926  0.58166157  0.85489632  1
  C  C39  1  0.98256610  0.72733814  0.14604506  1
  C  C40  1  0.48328042  0.41832205  0.14511360  1
  C  C41  1  0.01791836  0.27262974  0.85393960  1
  C  C42  1  0.51430606  0.58662507  0.75356719  1
  C  C43  1  0.98721082  0.83371460  0.24664470  1
  C  C44  1  0.48573729  0.41336109  0.24644408  1
  C  C45  1  0.01533933  0.16626820  0.75318985  1
  N  N46  1  0.49202634  0.48343881  0.65600252  1
  N  N47  1  0.00906177  0.83037894  0.34688280  1
  N  N48  1  0.50823934  0.51652328  0.34398972  1
  N  N49  1  0.99234900  0.16950255  0.65302320  1
  N  N50  1  0.49144785  0.44905598  0.95598051  1
  N  N51  1  0.00491013  0.49353294  0.04474416  1
  N  N52  1  0.50837247  0.55092127  0.04402144  1
  N  N53  1  0.99207870  0.50631133  0.95543367  1
  N  N54  1  0.87073319  0.62843370  0.59163656  1
  N  N55  1  0.62891330  0.03383990  0.40819169  1
  N  N56  1  0.12931642  0.37185235  0.40838383  1
  N  N57  1  0.37048695  0.96618286  0.59195228  1
  O  O58  1  0.72080125  0.63448558  0.54883681  1
  O  O59  1  0.78075840  0.08158555  0.45202075  1
  O  O60  1  0.27914289  0.36570153  0.45121422  1
  O  O61  1  0.21783709  0.91925619  0.54905486  1
  O  O62  1  0.91100437  0.53995173  0.61267916  1
  O  O63  1  0.58949573  0.92471983  0.38722800  1
  O  O64  1  0.08919944  0.46043438  0.38744667  1
  O  O65  1  0.41124325  0.07485465  0.61212917  1
  O  O66  1  0.97983030  0.72025817  0.61192588  1
  O  O67  1  0.52218077  0.10608405  0.38894397  1
  O  O68  1  0.02013145  0.28004293  0.38795770  1
  O  O69  1  0.47667408  0.89350864  0.61104730  1
  O  O70  1  0.34550496  0.66605993  0.58491718  1
  O  O71  1  0.15188620  0.08193911  0.41381501  1
  O  O72  1  0.65411588  0.33403151  0.41525320  1
  O  O73  1  0.84664586  0.91810436  0.58618379  1
