# generated using pymatgen
data_VFe2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88059656
_cell_length_b   10.87511647
_cell_length_c   10.86480794
_cell_angle_alpha   89.26401984
_cell_angle_beta   89.06134722
_cell_angle_gamma   63.73369785
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2H8C14(NO)6
_chemical_formula_sum   'V2 Fe4 H16 C28 N12 O12'
_cell_volume   1152.68808800
_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
  Fe  Fe0  1  0.90505110  0.09458736  0.25198163  1
  Fe  Fe1  1  0.09494805  0.90541435  0.74801612  1
  V  V2  1  0.85433128  0.98837412  0.00208903  1
  Fe  Fe3  1  0.00792780  0.14321812  0.50309435  1
  V  V4  1  0.14566724  0.01162465  0.99790994  1
  Fe  Fe5  1  0.99206956  0.85678651  0.49690500  1
  H  H6  1  0.53635922  0.16843255  0.41340838  1
  H  H7  1  0.82916504  0.46278639  0.08584800  1
  H  H8  1  0.46364391  0.83155705  0.58659542  1
  H  H9  1  0.17084032  0.53721474  0.91414864  1
  H  H10  1  0.33177360  0.15488113  0.50923817  1
  H  H11  1  0.84144518  0.66588660  0.98633573  1
  H  H12  1  0.66822314  0.84511741  0.49076285  1
  H  H13  1  0.15856224  0.33411402  0.01366226  1
  H  H14  1  0.42756463  0.07540190  0.05467740  1
  H  H15  1  0.92889275  0.57525556  0.43989876  1
  H  H16  1  0.57243515  0.92459413  0.94532452  1
  H  H17  1  0.07109957  0.42475121  0.56010091  1
  H  H18  1  0.87439321  0.21771652  0.03779811  1
  H  H19  1  0.77901513  0.12288097  0.46321744  1
  H  H20  1  0.12560760  0.78228308  0.96219874  1
  H  H21  1  0.22098193  0.87712346  0.53677998  1
  C  C22  1  0.62425800  0.11834350  0.17460514  1
  C  C23  1  0.88254615  0.37606236  0.32329738  1
  C  C24  1  0.37574463  0.88164736  0.82539899  1
  C  C25  1  0.11745016  0.62394146  0.67670035  1
  C  C26  1  0.49824361  0.11753518  0.22895648  1
  C  C27  1  0.88212311  0.50304806  0.26827059  1
  C  C28  1  0.50175857  0.88245701  0.77104715  1
  C  C29  1  0.11787487  0.49695564  0.73172814  1
  C  C30  1  0.46861755  0.14315779  0.35690765  1
  C  C31  1  0.85496024  0.53113657  0.14093323  1
  C  C32  1  0.53138357  0.85683430  0.64309611  1
  C  C33  1  0.14504236  0.46886541  0.85906496  1
  C  C34  1  0.35471720  0.13702553  0.41124801  1
  C  C35  1  0.85988836  0.64454419  0.08421566  1
  C  C36  1  0.64528132  0.86297096  0.58875376  1
  C  C37  1  0.14011693  0.35545667  0.91578267  1
  C  C38  1  0.26934204  0.10623800  0.33504342  1
  C  C39  1  0.89072876  0.73156629  0.15772520  1
  C  C40  1  0.73065585  0.89376130  0.66495651  1
  C  C41  1  0.10927514  0.26843463  0.84227425  1
  C  C42  1  0.29597609  0.08497013  0.20818931  1
  C  C43  1  0.91732153  0.70461090  0.28372948  1
  C  C44  1  0.70402453  0.91502710  0.79181134  1
  C  C45  1  0.08267736  0.29539226  0.71627081  1
  C  C46  1  0.40980845  0.09065433  0.15322493  1
  C  C47  1  0.91102927  0.59180183  0.34153661  1
  C  C48  1  0.59019375  0.90934020  0.84677700  1
  C  C49  1  0.08896602  0.40820311  0.65846296  1
  N  N50  1  0.15437296  0.08713932  0.36044047  1
  N  N51  1  0.90629022  0.84846993  0.13254702  1
  N  N52  1  0.84562134  0.91286641  0.63955683  1
  N  N53  1  0.09372084  0.15152640  0.86745290  1
  N  N54  1  0.11807178  0.04437343  0.25918464  1
  N  N55  1  0.95473347  0.88299296  0.23488330  1
  N  N56  1  0.88192209  0.95563434  0.74081130  1
  N  N57  1  0.04527400  0.11700526  0.76512006  1
  N  N58  1  0.19492465  0.05355411  0.16277398  1
  N  N59  1  0.95121682  0.80373533  0.32787433  1
  N  N60  1  0.80507641  0.94644603  0.83722384  1
  N  N61  1  0.04878264  0.19626629  0.67212793  1
  O  O62  1  0.92805084  0.11866619  0.04948934  1
  O  O63  1  0.87644842  0.07183284  0.44493676  1
  O  O64  1  0.07194811  0.88133300  0.95050673  1
  O  O65  1  0.12354940  0.92817258  0.55506283  1
  O  O66  1  0.69720337  0.15018718  0.24487796  1
  O  O67  1  0.85207346  0.30269684  0.25089062  1
  O  O68  1  0.30279648  0.84981010  0.75512361  1
  O  O69  1  0.14792240  0.69730809  0.74910727  1
  O  O70  1  0.65289350  0.08537423  0.05993785  1
  O  O71  1  0.91638000  0.34830147  0.43589006  1
  O  O72  1  0.34710916  0.91461347  0.94006650  1
  O  O73  1  0.08361510  0.65170309  0.56410883  1
