# generated using pymatgen
data_V2FeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87105927
_cell_length_b   10.86442681
_cell_length_c   10.85932281
_cell_angle_alpha   89.24318995
_cell_angle_beta   89.04645371
_cell_angle_gamma   63.77093656
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2FeH8C14(NO)6
_chemical_formula_sum   'V4 Fe2 H16 C28 N12 O12'
_cell_volume   1150.32637969
_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  0.90813045  0.09311292  0.25332551  1
  V  V1  1  0.09186642  0.90689055  0.74667146  1
  V  V2  1  0.85382702  0.98680996  -0.00090462  1
  Fe  Fe3  1  0.01131999  0.14583279  0.50617356  1
  V  V4  1  0.14617506  0.01318893  1.00090381  1
  Fe  Fe5  1  0.98867629  0.85417189  0.49382588  1
  H  H6  1  0.53588735  0.16837893  0.41499970  1
  H  H7  1  0.82964403  0.46328575  0.08552170  1
  H  H8  1  0.46411492  0.83161072  0.58500446  1
  H  H9  1  0.17036130  0.53671523  0.91447526  1
  H  H10  1  0.33216443  0.15488406  0.51067850  1
  H  H11  1  0.84187117  0.66655173  0.98638562  1
  H  H12  1  0.66783175  0.84511481  0.48932236  1
  H  H13  1  0.15813575  0.33344929  0.01361291  1
  H  H14  1  0.42663248  0.07441455  0.05656490  1
  H  H15  1  0.92921115  0.57589825  0.43951736  1
  H  H16  1  0.57336834  0.92558188  0.94343668  1
  H  H17  1  0.07078135  0.42410758  0.56048337  1
  H  H18  1  0.87550524  0.21444437  0.04006809  1
  H  H19  1  0.78293141  0.12438299  0.45886874  1
  H  H20  1  0.12449571  0.78555724  0.95992904  1
  H  H21  1  0.21706610  0.87562082  0.54112795  1
  C  C22  1  0.62450372  0.11768545  0.17522393  1
  C  C23  1  0.88293100  0.37661321  0.32473231  1
  C  C24  1  0.37549865  0.88230522  0.82477869  1
  C  C25  1  0.11706534  0.62339057  0.67526605  1
  C  C26  1  0.49836772  0.11752196  0.23007112  1
  C  C27  1  0.88255063  0.50322159  0.26859055  1
  C  C28  1  0.50163505  0.88246969  0.76993240  1
  C  C29  1  0.11744794  0.49678175  0.73140838  1
  C  C30  1  0.46836185  0.14333560  0.35800891  1
  C  C31  1  0.85545207  0.53138759  0.14100921  1
  C  C32  1  0.53163952  0.85665624  0.64199443  1
  C  C33  1  0.14455122  0.46861412  0.85898909  1
  C  C34  1  0.35470723  0.13686791  0.41262249  1
  C  C35  1  0.86079888  0.64481539  0.08429340  1
  C  C36  1  0.64529083  0.86312860  0.58737889  1
  C  C37  1  0.13920658  0.35518554  0.91570525  1
  C  C38  1  0.26886303  0.10521952  0.33741503  1
  C  C39  1  0.89289618  0.73140700  0.15723188  1
  C  C40  1  0.73113491  0.89477991  0.66258479  1
  C  C41  1  0.10710921  0.26859317  0.84276752  1
  C  C42  1  0.29511308  0.08422933  0.21047987  1
  C  C43  1  0.91849715  0.70593853  0.28347324  1
  C  C44  1  0.70488716  0.91576787  0.78952051  1
  C  C45  1  0.08150174  0.29406452  0.71652721  1
  C  C46  1  0.40915401  0.09042073  0.15514117  1
  C  C47  1  0.91171580  0.59266878  0.34109511  1
  C  C48  1  0.59084773  0.90957427  0.84486066  1
  C  C49  1  0.08828031  0.40733541  0.65890511  1
  N  N50  1  0.15479794  0.08609474  0.36450569  1
  N  N51  1  0.90734535  0.84831093  0.12934829  1
  N  N52  1  0.84519633  0.91391009  0.63549306  1
  N  N53  1  0.09266493  0.15168665  0.87065046  1
  N  N54  1  0.10929497  0.05442618  0.26077282  1
  N  N55  1  0.94434128  0.89279083  0.23424109  1
  N  N56  1  0.89070011  0.94557893  0.73922596  1
  N  N57  1  0.05566357  0.10720914  0.76575907  1
  N  N58  1  0.19287424  0.05638571  0.16387183  1
  N  N59  1  0.94976886  0.80633907  0.32746291  1
  N  N60  1  0.80712353  0.94361592  0.83612796  1
  N  N61  1  0.05022916  0.19366425  0.67253822  1
  O  O62  1  0.92782186  0.11655277  0.05932247  1
  O  O63  1  0.88051772  0.07236080  0.43898366  1
  O  O64  1  0.07217824  0.88344875  0.94067467  1
  O  O65  1  0.11948013  0.92764340  0.56101515  1
  O  O66  1  0.70046014  0.14736351  0.24607707  1
  O  O67  1  0.85328502  0.30037573  0.25226973  1
  O  O68  1  0.29953954  0.85263449  0.75392390  1
  O  O69  1  0.14671165  0.69962782  0.74772782  1
  O  O70  1  0.65203078  0.08658775  0.06077397  1
  O  O71  1  0.91514711  0.34935637  0.43722273  1
  O  O72  1  0.34797406  0.91339697  0.93923019  1
  O  O73  1  0.08484772  0.65064732  0.56277630  1
