# generated using pymatgen
data_VCrH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40714930
_cell_length_b   9.52441793
_cell_length_c   9.52778240
_cell_angle_alpha   81.78457649
_cell_angle_beta   75.40042549
_cell_angle_gamma   75.79539072
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrH20C28(N3O2)4
_chemical_formula_sum   'V1 Cr1 H20 C28 N12 O8'
_cell_volume   797.85112247
_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
  Cr  Cr0  1  0.73891819  0.95147488  0.71260726  1
  V  V1  1  0.23953187  0.71155296  0.95163254  1
  H  H2  1  0.38944724  0.01429047  0.61014221  1
  H  H3  1  0.88894052  0.61237775  0.02532817  1
  H  H4  1  0.59730658  0.48937481  0.77825456  1
  H  H5  1  0.10411527  0.77332550  0.48352556  1
  H  H6  1  0.87253287  0.87657961  0.17716126  1
  H  H7  1  0.36933775  0.17953900  0.88219068  1
  H  H8  1  0.07737675  0.30941767  0.24799430  1
  H  H9  1  0.57937952  0.24403541  0.29682005  1
  H  H10  1  0.58919673  0.92479874  0.08269620  1
  H  H11  1  0.08529613  0.08848931  0.92434343  1
  H  H12  1  0.96155102  0.11289197  0.40914897  1
  H  H13  1  0.46753013  0.40822277  0.10097593  1
  H  H14  1  0.78871878  0.63168558  0.53492256  1
  H  H15  1  0.29412823  0.53096556  0.62151975  1
  H  H16  1  0.21129243  0.03117435  0.44920695  1
  H  H17  1  0.70931978  0.45489991  0.03330823  1
  H  H18  1  0.31011596  0.98500624  0.18639864  1
  H  H19  1  0.80649373  0.19302353  0.98253934  1
  H  H20  1  0.98626925  0.56773290  0.30760775  1
  H  H21  1  0.48971419  0.30284492  0.55545343  1
  C  C22  1  0.42988253  0.99392494  0.49597645  1
  C  C23  1  0.92870598  0.49894433  0.00263906  1
  C  C24  1  0.43950387  0.90147621  0.86810254  1
  C  C25  1  0.94676852  0.86571916  0.90163368  1
  C  C26  1  0.54373965  0.75087452  0.83587317  1
  C  C27  1  0.04819359  0.82195451  0.75236139  1
  C  C28  1  0.98947055  0.33675415  0.34565587  1
  C  C29  1  0.49335673  0.34236805  0.32463601  1
  C  C30  1  0.54307444  0.94318827  0.19686292  1
  C  C31  1  0.03960931  0.20185572  0.94524651  1
  C  C32  1  0.82120895  0.26347040  0.56134246  1
  C  C33  1  0.32805493  0.55928470  0.25378881  1
  C  C34  1  0.92978898  0.22567927  0.43505077  1
  C  C35  1  0.43545360  0.43314222  0.21421720  1
  C  C36  1  0.82855308  0.52013892  0.50565730  1
  C  C37  1  0.33457982  0.50195902  0.50977020  1
  C  C38  1  0.77128175  0.40815024  0.59521838  1
  C  C39  1  0.27868203  0.59240741  0.39859412  1
  C  C40  1  0.63934024  0.93203951  0.29015934  1
  C  C41  1  0.13685784  0.29327671  0.93877400  1
  C  C42  1  0.33245771  0.00367238  0.40427685  1
  C  C43  1  0.83033790  0.40915220  0.00740041  1
  C  C44  1  0.38801825  0.97846335  0.25608930  1
  C  C45  1  0.88475102  0.26178486  0.97930759  1
  C  C46  1  0.93877137  0.48244068  0.37967551  1
  C  C47  1  0.44314211  0.37573283  0.47074532  1
  C  C48  1  0.58441949  0.95736265  0.43681614  1
  C  C49  1  0.08290321  0.43844958  0.96842268  1
  N  N50  1  0.83395302  0.91270086  0.39387737  1
  N  N51  1  0.33270099  0.39412626  0.92466790  1
  N  N52  1  0.64620087  0.26678934  0.76705216  1
  N  N53  1  0.15367631  0.76552187  0.26054757  1
  N  N54  1  0.70991492  0.94279849  0.49574788  1
  N  N55  1  0.20880371  0.49628302  0.95676839  1
  N  N56  1  0.66512507  0.40146736  0.72358358  1
  N  N57  1  0.17370260  0.72137851  0.39407905  1
  N  N58  1  0.74134572  0.18104825  0.67199903  1
  N  N59  1  0.24766988  0.67012719  0.17286097  1
  N  N60  1  0.79321248  0.90385716  0.27202217  1
  N  N61  1  0.29088935  0.27413368  0.91194565  1
  O  O62  1  0.47886977  0.64349174  0.87305440  1
  O  O63  1  0.98968509  0.85811905  0.64302023  1
  O  O64  1  0.49726062  0.01159207  0.82771932  1
  O  O65  1  1.00774181  0.82173022  0.01021845  1
  O  O66  1  0.30284628  0.90409811  0.93185308  1
  O  O67  1  0.81406152  0.93801400  0.90661316  1
  O  O68  1  0.67985716  0.74550782  0.77373225  1
  O  O69  1  0.18170430  0.75120223  0.75192736  1
