# generated using pymatgen
data_VH14C14(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24076989
_cell_length_b   9.24084848
_cell_length_c   8.55688409
_cell_angle_alpha   86.48244518
_cell_angle_beta   86.48375602
_cell_angle_gamma   106.41249267
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VH14C14(NO2)2
_chemical_formula_sum   'V2 H28 C28 N4 O8'
_cell_volume   697.23419577
_cell_formula_units_Z   2
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  0.62492961  0.85272013  0.98072438  1
  V  V1  1  0.85272776  0.62493825  0.48072651  1
  H  H2  1  0.52384082  0.99601748  0.67764888  1
  H  H3  1  0.99601561  0.52385129  0.17764855  1
  H  H4  1  0.42585729  0.19748656  0.54958631  1
  H  H5  1  0.19747090  0.42585343  0.04958934  1
  H  H6  1  0.52036974  0.38688264  0.57932727  1
  H  H7  1  0.38687092  0.52036693  0.07931734  1
  H  H8  1  0.72063803  0.20828472  0.07233254  1
  H  H9  1  0.20829930  0.72062840  0.57233475  1
  H  H10  1  0.60444759  0.40436297  0.92514866  1
  H  H11  1  0.40436848  0.60443394  0.42514563  1
  H  H12  1  0.32272958  0.39727217  0.78064096  1
  H  H13  1  0.39727870  0.32273108  0.28063045  1
  H  H14  1  0.25709915  0.36028986  0.59457730  1
  H  H15  1  0.36028230  0.25710023  0.09457049  1
  H  H16  1  0.95265277  0.48222986  0.78509472  1
  H  H17  1  0.48223493  0.95264501  0.28508191  1
  H  H18  1  0.95654623  0.09169271  0.88409503  1
  H  H19  1  0.09170573  0.95654713  0.38410512  1
  H  H20  1  0.05086454  0.28115869  0.91367541  1
  H  H21  1  0.28117641  0.05086476  0.41367182  1
  H  H22  1  0.75702846  0.26941458  0.39019061  1
  H  H23  1  0.26938653  0.75702788  0.89019009  1
  H  H24  1  0.87335006  0.07378632  0.53787252  1
  H  H25  1  0.07377104  0.87335671  0.03788190  1
  H  H26  1  0.21982802  0.11830189  0.86926607  1
  H  H27  1  0.11831217  0.21982494  0.36927536  1
  H  H28  1  0.15449464  0.08118189  0.68308727  1
  H  H29  1  0.08117661  0.15449288  0.18310030  1
  C  C30  1  0.65735114  0.70567589  0.70522707  1
  C  C31  1  0.70567469  0.65735174  0.20523108  1
  C  C32  1  0.53054443  0.22129234  0.75984037  1
  C  C33  1  0.22129055  0.53054091  0.25983870  1
  C  C34  1  0.55765026  0.08011503  0.76192101  1
  C  C35  1  0.08011446  0.55765295  0.26192196  1
  C  C36  1  0.44707864  0.28036259  0.63817826  1
  C  C37  1  0.28035441  0.44707586  0.13817596  1
  C  C38  1  0.66080739  0.19129033  0.96671695  1
  C  C39  1  0.19129740  0.66079951  0.46671735  1
  C  C40  1  0.59698481  0.29140466  0.89028543  1
  C  C41  1  0.29140995  0.59697647  0.39028471  1
  C  C42  1  0.29883436  0.31031391  0.69585957  1
  C  C43  1  0.31031251  0.29883416  0.19585555  1
  C  C44  1  0.94655750  0.25697768  0.70316906  1
  C  C45  1  0.25697671  0.94655816  0.20316760  1
  C  C46  1  0.91909254  0.39799085  0.70090623  1
  C  C47  1  0.39799000  0.91909051  0.20089667  1
  C  C48  1  0.02988149  0.19816763  0.82518484  1
  C  C49  1  0.19817723  0.02988193  0.32518727  1
  C  C50  1  0.81659142  0.28654190  0.49592196  1
  C  C51  1  0.28652430  0.81659255  0.99591953  1
  C  C52  1  0.88057259  0.18674694  0.57263897  1
  C  C53  1  0.18673429  0.88057426  0.07264220  1
  C  C54  1  0.17822227  0.16820126  0.76783269  1
  C  C55  1  0.16820465  0.17822092  0.26783872  1
  C  C56  1  0.82007734  0.77290088  0.75544798  1
  C  C57  1  0.77290174  0.82007755  0.25544605  1
  N  N58  1  0.63658778  0.06117018  0.88961480  1
  N  N59  1  0.06117622  0.63658658  0.38961759  1
  N  N60  1  0.84043004  0.41676111  0.57291244  1
  N  N61  1  0.41674975  0.84042888  0.07290178  1
  O  O62  1  0.54955213  0.73518614  0.78357273  1
  O  O63  1  0.73518851  0.54955380  0.28357828  1
  O  O64  1  0.83410535  0.85386047  0.87130224  1
  O  O65  1  0.85387073  0.83410997  0.37129551  1
  O  O66  1  0.92785054  0.74313705  0.67732418  1
  O  O67  1  0.74313131  0.92784845  0.17732179  1
  O  O68  1  0.64339062  0.62481186  0.58927961  1
  O  O69  1  0.62480141  0.64338871  0.08928800  1
