# generated using pymatgen
data_VFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87082748
_cell_length_b   10.86538498
_cell_length_c   10.85733498
_cell_angle_alpha   89.24968598
_cell_angle_beta   89.04475919
_cell_angle_gamma   63.76201365
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeNiH8C14(NO)6
_chemical_formula_sum   'V2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1150.10494370
_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
  Ni  Ni0  1  0.90556369  0.09484404  0.25381383  1
  Ni  Ni1  1  0.09443433  0.90515889  0.74618473  1
  V  V2  1  0.85390842  0.98863329  0.00088712  1
  Fe  Fe3  1  0.00449687  0.14453076  0.50568390  1
  V  V4  1  0.14609316  0.01136607  0.99911163  1
  Fe  Fe5  1  0.99549993  0.85547381  0.49431571  1
  H  H6  1  0.53663910  0.16799102  0.41428918  1
  H  H7  1  0.83001016  0.46290153  0.08598599  1
  H  H8  1  0.46336357  0.83199880  0.58571505  1
  H  H9  1  0.16999519  0.53709971  0.91401105  1
  H  H10  1  0.33220534  0.15468409  0.51023416  1
  H  H11  1  0.84215119  0.66673000  0.98664521  1
  H  H12  1  0.66779095  0.84531467  0.48976650  1
  H  H13  1  0.15785574  0.33327114  0.01335304  1
  H  H14  1  0.42650937  0.07435007  0.05604988  1
  H  H15  1  0.92932347  0.57552162  0.44017342  1
  H  H16  1  0.57349246  0.92564714  0.94395136  1
  H  H17  1  0.07066859  0.42448490  0.55982704  1
  H  H18  1  0.87600091  0.21418724  0.04490796  1
  H  H19  1  0.78473500  0.12259620  0.45447219  1
  H  H20  1  0.12400052  0.78581295  0.95508949  1
  H  H21  1  0.21526175  0.87740831  0.54552618  1
  C  C22  1  0.62606453  0.11719129  0.17504746  1
  C  C23  1  0.88356865  0.37441162  0.32421086  1
  C  C24  1  0.37393815  0.88279884  0.82495543  1
  C  C25  1  0.11642737  0.62559215  0.67578702  1
  C  C26  1  0.49880072  0.11703518  0.22943825  1
  C  C27  1  0.88312645  0.50243699  0.26885288  1
  C  C28  1  0.50120193  0.88295655  0.77056539  1
  C  C29  1  0.11687189  0.49756639  0.73114583  1
  C  C30  1  0.46890110  0.14314292  0.35725139  1
  C  C31  1  0.85570809  0.53108773  0.14152829  1
  C  C32  1  0.53110083  0.85684876  0.64275207  1
  C  C33  1  0.14429522  0.46891420  0.85846979  1
  C  C34  1  0.35489698  0.13692932  0.41215172  1
  C  C35  1  0.86078132  0.64483986  0.08464888  1
  C  C36  1  0.64510149  0.86306711  0.58784930  1
  C  C37  1  0.13922414  0.35516121  0.91534946  1
  C  C38  1  0.26926076  0.10585320  0.33689238  1
  C  C39  1  0.89221295  0.73120674  0.15824469  1
  C  C40  1  0.73073728  0.89414604  0.66310751  1
  C  C41  1  0.10779252  0.26879344  0.84175459  1
  C  C42  1  0.29547199  0.08443309  0.21007539  1
  C  C43  1  0.91740691  0.70509408  0.28443667  1
  C  C44  1  0.70452845  0.91556333  0.78992500  1
  C  C45  1  0.08259148  0.29490908  0.71556361  1
  C  C46  1  0.40936463  0.09025294  0.15452108  1
  C  C47  1  0.91153130  0.59184245  0.34190828  1
  C  C48  1  0.59063705  0.90974212  0.84548047  1
  C  C49  1  0.08846472  0.40816165  0.65809186  1
  N  N50  1  0.15464723  0.08638221  0.36292724  1
  N  N51  1  0.90764906  0.84825076  0.13279159  1
  N  N52  1  0.84534717  0.91362305  0.63707152  1
  N  N53  1  0.09236192  0.15174676  0.86720723  1
  N  N54  1  0.11223801  0.05224280  0.26071083  1
  N  N55  1  0.94838896  0.88822325  0.23618551  1
  N  N56  1  0.88775628  0.94776399  0.73928792  1
  N  N57  1  0.05161621  0.11177643  0.76381554  1
  N  N58  1  0.19326869  0.05441814  0.16490546  1
  N  N59  1  0.94827596  0.80625733  0.32861945  1
  N  N60  1  0.80672850  0.94558329  0.83509387  1
  N  N61  1  0.05172195  0.19374597  0.67138170  1
  O  O62  1  0.92961599  0.11492370  0.05480202  1
  O  O63  1  0.88221562  0.06898622  0.43757093  1
  O  O64  1  0.07038432  0.88507687  0.94519546  1
  O  O65  1  0.11778126  0.93101878  0.56242772  1
  O  O66  1  0.69976545  0.14848530  0.24480309  1
  O  O67  1  0.85280216  0.30092304  0.25238839  1
  O  O68  1  0.30023454  0.85151086  0.75519755  1
  O  O69  1  0.14719386  0.69908136  0.74760896  1
  O  O70  1  0.65436976  0.08399136  0.06006008  1
  O  O71  1  0.91694251  0.34745036  0.43722916  1
  O  O72  1  0.34563420  0.91599334  0.93994382  1
  O  O73  1  0.08305227  0.65255314  0.56276923  1
