# generated using pymatgen
data_VCoH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87221077
_cell_length_b   11.63066657
_cell_length_c   12.30022050
_cell_angle_alpha   118.36150037
_cell_angle_beta   100.15037698
_cell_angle_gamma   89.92152758
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCoH28C32(NO3)4
_chemical_formula_sum   'V1 Co1 H28 C32 N4 O12'
_cell_volume   971.08796408
_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
  Co  Co0  1  0.99999629  0.99999812  0.49999737  1
  V  V1  1  0.50000165  0.50000073  0.50000141  1
  H  H2  1  0.84213234  0.90747232  0.62318426  1
  H  H3  1  0.66296510  0.28630354  0.38093982  1
  H  H4  1  0.15786834  0.09252734  0.37681487  1
  H  H5  1  0.33703774  0.71369753  0.61906184  1
  H  H6  1  0.02593732  0.84729172  0.61813231  1
  H  H7  1  0.47649366  0.23098203  0.38649189  1
  H  H8  1  0.97406350  0.15270823  0.38186642  1
  H  H9  1  0.52350905  0.76901883  0.61350966  1
  H  H10  1  0.76734072  0.94229048  0.25598348  1
  H  H11  1  0.73147435  0.68968729  0.74800444  1
  H  H12  1  0.23265811  0.05770919  0.74401417  1
  H  H13  1  0.26852797  0.31031439  0.25200132  1
  H  H14  1  0.57818246  0.75424189  0.07901256  1
  H  H15  1  0.91930697  0.67706823  0.92414703  1
  H  H16  1  0.42181699  0.24575730  0.92098308  1
  H  H17  1  0.08069132  0.32293177  0.07585946  1
  H  H18  1  0.79639271  0.51315975  0.24077768  1
  H  H19  1  0.70745337  0.27168120  0.75692241  1
  H  H20  1  0.20360099  0.48683885  0.75921861  1
  H  H21  1  0.29254700  0.72831709  0.24307682  1
  H  H22  1  0.98822225  0.70944243  0.40482258  1
  H  H23  1  0.51213560  0.30412674  0.59581046  1
  H  H24  1  0.01177160  0.29055587  0.59517508  1
  H  H25  1  0.48786740  0.69587371  0.40418947  1
  H  H26  1  0.57265360  0.41163579  0.05514108  1
  H  H27  1  0.92995049  0.35515274  0.94226906  1
  H  H28  1  0.42734262  0.58836378  0.94485514  1
  H  H29  1  0.07004802  0.64484501  0.05773298  1
  C  C30  1  0.76937492  0.84561849  0.24927696  1
  C  C31  1  0.72937215  0.59906220  0.75388005  1
  C  C32  1  0.23062231  0.15438067  0.75071976  1
  C  C33  1  0.27062934  0.40093895  0.24612475  1
  C  C34  1  0.66360524  0.73981864  0.15066543  1
  C  C35  1  0.83478895  0.59077458  0.85147866  1
  C  C36  1  0.33639263  0.26018068  0.84933087  1
  C  C37  1  0.16521054  0.40922522  0.14852572  1
  C  C38  1  0.66845689  0.61602567  0.14576679  1
  C  C39  1  0.83190338  0.47092263  0.85477699  1
  C  C40  1  0.33153927  0.38397348  0.85422932  1
  C  C41  1  0.16809624  0.52907610  0.14522560  1
  C  C42  1  0.78700813  0.60670192  0.24075724  1
  C  C43  1  0.71447413  0.36629777  0.75881762  1
  C  C44  1  0.21298669  0.39329677  0.75923946  1
  C  C45  1  0.28552655  0.63370125  0.24118316  1
  C  C46  1  0.89125920  0.71675153  0.33394912  1
  C  C47  1  0.60859138  0.38314632  0.66671633  1
  C  C48  1  0.10873582  0.28324677  0.66604825  1
  C  C49  1  0.39141069  0.61685381  0.33328465  1
  C  C50  1  0.62234470  0.03751053  0.50425459  1
  C  C51  1  0.87819150  0.53351214  0.49672332  1
  C  C52  1  0.37765483  0.96249097  0.49574611  1
  C  C53  1  0.12181183  0.46648880  0.50327938  1
  C  C54  1  0.55586138  0.94537516  0.54111151  1
  C  C55  1  0.94407066  0.40435471  0.45771247  1
  C  C56  1  0.44413861  0.05462657  0.45888928  1
  C  C57  1  0.05593239  0.59564628  0.54229038  1
  C  C58  1  0.55913088  0.50156981  0.04842342  1
  C  C59  1  0.94162385  0.45286557  0.95099036  1
  C  C60  1  0.44086521  0.49842940  0.95157245  1
  C  C61  1  0.05837475  0.54713228  0.04901199  1
  N  N62  1  0.87879902  0.83600199  0.34196651  1
  N  N63  1  0.61965429  0.49564663  0.65918103  1
  N  N64  1  0.12119606  0.16399637  0.65803072  1
  N  N65  1  0.38034879  0.50435476  0.34082175  1
  O  O66  1  0.96584489  0.92388875  0.62196036  1
  O  O67  1  0.53825024  0.30525154  0.38484624  1
  O  O68  1  0.03415545  0.07611137  0.37803887  1
  O  O69  1  0.46175296  0.69474985  0.61515638  1
  O  O70  1  0.76669019  0.09199139  0.51532167  1
  O  O71  1  0.73014361  0.57523284  0.48935034  1
  O  O72  1  0.23331024  0.90801015  0.48467906  1
  O  O73  1  0.26985944  0.42476852  0.51065260  1
  O  O74  1  0.62557103  0.88921616  0.60164163  1
  O  O75  1  0.87187368  0.28800776  0.39659254  1
  O  O76  1  0.37442931  0.11078472  0.39835830  1
  O  O77  1  0.12812925  0.71199338  0.60340668  1
