# generated using pymatgen
data_VH12C16(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09464085
_cell_length_b   10.48459787
_cell_length_c   10.94147303
_cell_angle_alpha   90.00003934
_cell_angle_beta   88.48748960
_cell_angle_gamma   89.99978435
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VH12C16(NO2)2
_chemical_formula_sum   'V2 H24 C32 N4 O8'
_cell_volume   928.26893268
_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  0.00000117  0.50000005  0.00000040  1
  V  V1  1  0.49999842  0.00000040  0.49999924  1
  H  H2  1  0.69287831  0.61041917  0.90832138  1
  H  H3  1  0.80712798  0.11042195  0.59167279  1
  H  H4  1  0.30712285  0.38957922  0.09168714  1
  H  H5  1  0.19287321  0.88957596  0.40831675  1
  H  H6  1  0.43574498  0.53468795  0.81132076  1
  H  H7  1  0.06426163  0.03468913  0.68867264  1
  H  H8  1  0.56425558  0.46531252  0.18868666  1
  H  H9  1  0.93574089  0.96530915  0.31131638  1
  H  H10  1  0.64449522  0.15724405  0.79703821  1
  H  H11  1  0.85550300  0.65724890  0.70296592  1
  H  H12  1  0.35550963  0.84275873  0.20295348  1
  H  H13  1  0.14448810  0.34275374  0.29704301  1
  H  H14  1  0.89610949  0.24313832  0.89270106  1
  H  H15  1  0.60389110  0.74314459  0.60730171  1
  H  H16  1  0.10389541  0.75686179  0.10729209  1
  H  H17  1  0.39610121  0.25685748  0.39270593  1
  H  H18  1  0.23971901  0.16872349  0.63224740  1
  H  H19  1  0.26028268  0.66871794  0.86774727  1
  H  H20  1  0.76027841  0.83128189  0.36775147  1
  H  H21  1  0.73971892  0.33128602  0.13225250  1
  H  H22  1  0.09551477  0.29880930  0.74416372  1
  H  H23  1  0.40448693  0.79880513  0.75583573  1
  H  H24  1  0.90448743  0.70119460  0.25583463  1
  H  H25  1  0.59550932  0.20119985  0.24416607  1
  C  C26  1  0.67960902  0.51140634  0.88033722  1
  C  C27  1  0.82039609  0.01140986  0.61965974  1
  C  C28  1  0.32039283  0.48859309  0.11966770  1
  C  C29  1  0.17960334  0.98858936  0.38033449  1
  C  C30  1  0.53436626  0.46841501  0.83189256  1
  C  C31  1  0.96563839  0.96841731  0.66810459  1
  C  C32  1  0.46563543  0.53158533  0.16811178  1
  C  C33  1  0.03436094  0.03158201  0.33188992  1
  C  C34  1  0.65139243  0.25747416  0.82140508  1
  C  C35  1  0.84860688  0.75747908  0.67859892  1
  C  C36  1  0.34861109  0.74252743  0.17859077  1
  C  C37  1  0.15138655  0.24252274  0.32140677  1
  C  C38  1  0.79297639  0.30553604  0.87138690  1
  C  C39  1  0.70702429  0.80554184  0.62861545  1
  C  C40  1  0.20702741  0.69446434  0.12860974  1
  C  C41  1  0.29296987  0.19445962  0.37138871  1
  C  C42  1  0.51517579  0.33847324  0.80481416  1
  C  C43  1  0.98482567  0.83847579  0.69518637  1
  C  C44  1  0.48482622  0.66152794  0.19518587  1
  C  C45  1  0.01517056  0.16152438  0.30481349  1
  C  C46  1  0.35967648  0.29230765  0.75606907  1
  C  C47  1  0.14032436  0.79230723  0.74393050  1
  C  C48  1  0.64032549  0.70769419  0.24393045  1
  C  C49  1  0.85967188  0.20769312  0.25606897  1
  C  C50  1  0.36246276  0.20034623  0.66219234  1
  C  C51  1  0.13753843  0.70034326  0.83780484  1
  C  C52  1  0.63753627  0.79965640  0.33780626  1
  C  C53  1  0.86246149  0.29965780  0.16219532  1
  C  C54  1  0.20092497  0.33806103  0.79528822  1
  C  C55  1  0.29907680  0.83805949  0.70471277  1
  C  C56  1  0.79907711  0.66194072  0.20471135  1
  C  C57  1  0.70091932  0.16194197  0.29528679  1
  N  N58  1  0.80819534  0.43130751  0.90094200  1
  N  N59  1  0.69180790  0.93131261  0.59905717  1
  N  N60  1  0.19180767  0.56869196  0.09905907  1
  N  N61  1  0.30818900  0.06868759  0.40094167  1
  O  O62  1  0.49372598  0.15876836  0.60820749  1
  O  O63  1  1.00627597  0.65876626  0.89179084  1
  O  O64  1  0.50627180  0.84123331  0.39179019  1
  O  O65  1  -0.00627445  0.34123323  0.10821044  1
  O  O66  1  0.17637638  0.41414218  0.88372881  1
  O  O67  1  0.32362667  0.91414465  0.61627596  1
  O  O68  1  0.82362580  0.58585847  0.11627180  1
  O  O69  1  0.67636954  0.08585560  0.38372283  1
