# generated using pymatgen
data_VH12C20(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.19816868
_cell_length_b   10.06638912
_cell_length_c   10.06535269
_cell_angle_alpha   60.94848338
_cell_angle_beta   85.46894554
_cell_angle_gamma   85.46702371
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VH12C20(NO2)2
_chemical_formula_sum   'V2 H24 C40 N4 O8'
_cell_volume   811.28551880
_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  0.47882614  0.44662354  0.31264139  1
  V  V1  1  0.97881531  0.31263150  0.44662998  1
  H  H2  1  0.96059241  0.97829523  0.39928850  1
  H  H3  1  0.46063421  0.39929510  0.97827168  1
  H  H4  1  0.96186547  0.72688302  0.41109534  1
  H  H5  1  0.46192774  0.41111041  0.72682702  1
  H  H6  1  0.49724227  0.78144438  0.35906404  1
  H  H7  1  0.99730699  0.35910513  0.78133094  1
  H  H8  1  0.49604687  0.03299170  0.34700034  1
  H  H9  1  0.99609230  0.34698805  0.03292741  1
  H  H10  1  0.21354858  0.65083225  0.37467597  1
  H  H11  1  0.71370098  0.37470535  0.65078118  1
  H  H12  1  0.12756794  0.91863584  0.24120071  1
  H  H13  1  0.62760968  0.24122218  0.91857885  1
  H  H14  1  0.22489226  0.09182789  0.97474260  1
  H  H15  1  0.72486925  0.97475094  0.09179695  1
  H  H16  1  0.38635135  0.11828165  0.75254281  1
  H  H17  1  0.88632258  0.75255199  0.11829314  1
  H  H18  1  0.56850592  0.00444748  0.63935525  1
  H  H19  1  0.06849253  0.63935070  0.00448477  1
  H  H20  1  0.73132712  0.78259222  0.66720711  1
  H  H21  1  0.23133620  0.66717751  0.78263352  1
  H  H22  1  0.83048789  0.51740995  0.84190265  1
  H  H23  1  0.33050411  0.84183186  0.51742481  1
  H  H24  1  0.74486460  0.38517143  0.10990747  1
  H  H25  1  0.24487726  0.10980732  0.38513891  1
  C  C26  1  0.72551834  0.17405947  0.37367403  1
  C  C27  1  0.22554046  0.37358826  0.17407505  1
  C  C28  1  0.72746654  0.02421727  0.37436751  1
  C  C29  1  0.22751706  0.37430627  0.02420272  1
  C  C30  1  0.85818982  0.93641832  0.38924537  1
  C  C31  1  0.35823529  0.38926904  0.93637184  1
  C  C32  1  0.85943361  0.79439151  0.39517134  1
  C  C33  1  0.35949233  0.39519341  0.79433177  1
  C  C34  1  0.73031780  0.73531503  0.38441792  1
  C  C35  1  0.23038856  0.38438393  0.73526817  1
  C  C36  1  0.59963752  0.82325500  0.36921626  1
  C  C37  1  0.09969188  0.36925481  0.82316472  1
  C  C38  1  0.59840792  0.96532213  0.36320935  1
  C  C39  1  0.09845509  0.36321810  0.96525704  1
  C  C40  1  0.73214578  0.58522090  0.38559735  1
  C  C41  1  0.23220656  0.38552996  0.58518749  1
  C  C42  1  0.26198771  0.72647888  0.26288773  1
  C  C43  1  0.76209243  0.26290565  0.72644592  1
  C  C44  1  0.21102586  0.87837450  0.18498878  1
  C  C45  1  0.71108000  0.18500828  0.87833427  1
  C  C46  1  0.26403989  0.97368811  0.03910715  1
  C  C47  1  0.76404711  0.03911821  0.97365863  1
  C  C48  1  0.36993443  0.91449651  0.97144280  1
  C  C49  1  0.86995685  0.97144689  0.91448941  1
  C  C50  1  0.42682536  0.00080057  0.81977628  1
  C  C51  1  0.92682126  0.81978101  0.00081253  1
  C  C52  1  0.52840655  0.93774967  0.75705326  1
  C  C53  1  0.02840388  0.75704409  0.93777521  1
  C  C54  1  0.58606081  0.78653977  0.84413323  1
  C  C55  1  0.08607483  0.84410186  0.78655751  1
  C  C56  1  0.69242692  0.71875408  0.78550399  1
  C  C57  1  0.19244293  0.78546579  0.71877914  1
  C  C58  1  0.74639925  0.57354169  0.88161266  1
  C  C59  1  0.24641497  0.88155158  0.57354997  1
  C  C60  1  0.69572377  0.49634587  0.03364361  1
  C  C61  1  0.19574039  0.03357183  0.49633122  1
  C  C62  1  0.53376984  0.69907872  0.99794610  1
  C  C63  1  0.03381118  0.99791147  0.69907864  1
  C  C64  1  0.42266542  0.76097149  0.05960787  1
  C  C65  1  0.92272512  0.05959407  0.76096865  1
  N  N66  1  0.58716262  0.55401698  0.09227214  1
  N  N67  1  0.08720647  0.09222513  0.55400480  1
  N  N68  1  0.37001924  0.66728953  0.20521107  1
  N  N69  1  0.87011816  0.20520233  0.66727394  1
  O  O70  1  0.60697873  0.52821522  0.40361882  1
  O  O71  1  0.10704334  0.40357778  0.52815201  1
  O  O72  1  0.85337497  0.52292505  0.37005201  1
  O  O73  1  0.35343166  0.36994420  0.52291271  1
  O  O74  1  0.85069346  0.23092043  0.35610228  1
  O  O75  1  0.35069427  0.35605022  0.23096125  1
  O  O76  1  0.60427342  0.23637265  0.38910986  1
  O  O77  1  0.10427047  0.38903177  0.23635247  1
