# generated using pymatgen
data_VFeH24C20(N3O4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32768827
_cell_length_b   11.85049757
_cell_length_c   13.33321052
_cell_angle_alpha   116.04620915
_cell_angle_beta   86.94630218
_cell_angle_gamma   90.02246444
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeH24C20(N3O4)4
_chemical_formula_sum   'V1 Fe1 H24 C20 N12 O16'
_cell_volume   1038.40702475
_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  0.49995264  0.50006097  0.50004045  1
  Fe  Fe1  1  0.99918423  1.00005054  0.50016774  1
  H  H2  1  0.44935437  0.28864925  0.57912917  1
  H  H3  1  0.05394998  0.70769254  0.41925563  1
  H  H4  1  0.55067494  0.71137317  0.42087036  1
  H  H5  1  0.95026542  0.29223422  0.58032052  1
  H  H6  1  0.45360014  0.26640055  0.75233840  1
  H  H7  1  0.04353337  0.51245149  0.24757090  1
  H  H8  1  0.54635621  0.73361308  0.24766612  1
  H  H9  1  0.95382270  0.48733761  0.75253716  1
  H  H10  1  0.53707898  0.66601007  0.92900384  1
  H  H11  1  0.95983957  0.73598279  0.06861980  1
  H  H12  1  0.46289035  0.33399434  0.07102598  1
  H  H13  1  0.03885369  0.26399590  0.93153937  1
  H  H14  1  0.53076846  0.67672550  0.74932910  1
  H  H15  1  0.97210503  0.92501210  0.24798139  1
  H  H16  1  0.46917576  0.32333166  0.25073329  1
  H  H17  1  0.03250036  0.07505366  0.75168049  1
  H  H18  1  0.39426503  0.75141785  0.59674405  1
  H  H19  1  0.10551044  0.15166643  0.40226498  1
  H  H20  1  0.60544097  0.24856500  0.40319099  1
  H  H21  1  0.89324670  0.84810647  0.59767238  1
  H  H22  1  0.21172760  0.67529180  0.59587529  1
  H  H23  1  0.28794100  0.07845278  0.40217479  1
  H  H24  1  0.78796153  0.32482475  0.40417049  1
  H  H25  1  0.71006553  0.92048639  0.59766998  1
  C  C26  1  0.46961991  0.37201333  0.65675834  1
  C  C27  1  0.03202593  0.71307858  0.34126100  1
  C  C28  1  0.53037851  0.62801527  0.34324934  1
  C  C29  1  0.97061867  0.28685672  0.65847046  1
  C  C30  1  0.47033419  0.35825248  0.75421957  1
  C  C31  1  0.02841628  0.60213879  0.24494770  1
  C  C32  1  0.52965585  0.64175504  0.24578048  1
  C  C33  1  0.97138420  0.39774937  0.75501972  1
  C  C34  1  0.49294227  0.46436599  0.85534625  1
  C  C35  1  0.00456114  0.60808402  0.14390118  1
  C  C36  1  0.50695848  0.53563943  0.14466867  1
  C  C37  1  0.99424419  0.39184297  0.85618178  1
  C  C38  1  0.51638947  0.58101244  0.85318270  1
  C  C39  1  0.98229219  0.72619841  0.14430128  1
  C  C40  1  0.48355279  0.41899841  0.14684832  1
  C  C41  1  0.01815622  0.27380468  0.85568163  1
  C  C42  1  0.51406204  0.58665789  0.75205087  1
  C  C43  1  0.98723863  0.83206383  0.24512086  1
  C  C44  1  0.48586287  0.41338550  0.24799282  1
  C  C45  1  0.01571448  0.16796091  0.75467097  1
  N  N46  1  0.49192116  0.48361200  0.65229809  1
  N  N47  1  0.01004963  0.82677310  0.34331814  1
  N  N48  1  0.50800571  0.51645205  0.34774434  1
  N  N49  1  0.99302432  0.17322229  0.65647999  1
  N  N50  1  0.49143369  0.44925059  0.95582192  1
  N  N51  1  0.00489497  0.49321489  0.04456254  1
  N  N52  1  0.50838920  0.55074616  0.04419427  1
  N  N53  1  0.99204996  0.50667014  0.95565548  1
  N  N54  1  0.87071724  0.62457477  0.59133526  1
  N  N55  1  0.62950720  0.03735295  0.40809818  1
  N  N56  1  0.12931203  0.37575036  0.40871136  1
  N  N57  1  0.36991659  0.96282069  0.59207040  1
  O  O58  1  0.71828224  0.62885646  0.54810089  1
  O  O59  1  0.77902114  0.08606717  0.45148330  1
  O  O60  1  0.28168334  0.37134732  0.45196597  1
  O  O61  1  0.21918113  0.91528717  0.54991272  1
  O  O62  1  0.91104520  0.53606865  0.61192590  1
  O  O63  1  0.58986991  0.92779848  0.38647574  1
  O  O64  1  0.08910972  0.46441127  0.38830686  1
  O  O65  1  0.41168601  0.07182749  0.61295828  1
  O  O66  1  0.97703120  0.71593842  0.61012256  1
  O  O67  1  0.52026503  0.10906419  0.38791821  1
  O  O68  1  0.02297328  0.28437273  0.38973185  1
  O  O69  1  0.47844764  0.89044732  0.61195620  1
  O  O70  1  0.34716853  0.66698742  0.58465198  1
  O  O71  1  0.15303750  0.08046028  0.41415596  1
  O  O72  1  0.65251924  0.33298241  0.41533439  1
  O  O73  1  0.84498348  0.91899312  0.58556214  1
