# generated using pymatgen
data_VFe2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88044178
_cell_length_b   10.87501748
_cell_length_c   10.86467711
_cell_angle_alpha   89.26421875
_cell_angle_beta   89.05960654
_cell_angle_gamma   63.73402759
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2H8C14(NO)6
_chemical_formula_sum   'V2 Fe4 H16 C28 N12 O12'
_cell_volume   1152.65015311
_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  0.90565199  0.09539007  0.24826293  1
  Fe  Fe1  1  0.09434776  0.90461189  0.75173491  1
  Fe  Fe2  1  0.85689523  0.99230149  -0.00330533  1
  V  V3  1  0.01138652  0.14589137  0.49790998  1
  Fe  Fe4  1  0.14310510  0.00769600  1.00330347  1
  V  V5  1  0.98860946  0.85411331  0.50209103  1
  H  H6  1  0.53776394  0.16963712  0.41531609  1
  H  H7  1  0.83038522  0.46409711  0.08766496  1
  H  H8  1  0.46223860  0.83035253  0.58468828  1
  H  H9  1  0.16961976  0.53590447  0.91233158  1
  H  H10  1  0.33468280  0.15658037  0.51457857  1
  H  H11  1  0.84317848  0.66872195  0.99151231  1
  H  H12  1  0.66531206  0.84341809  0.48542337  1
  H  H13  1  0.15682911  0.33127915  0.00848572  1
  H  H14  1  0.42473023  0.07450261  0.05959910  1
  H  H15  1  0.92809106  0.57239205  0.44472664  1
  H  H16  1  0.57526926  0.92549306  0.94040261  1
  H  H17  1  0.07190119  0.42761421  0.55527315  1
  H  H18  1  0.87690974  0.22124995  0.03738306  1
  H  H19  1  0.78243616  0.12520035  0.46263613  1
  H  H20  1  0.12309046  0.77875037  0.96261319  1
  H  H21  1  0.21756267  0.87480396  0.53736099  1
  C  C22  1  0.62434379  0.11812298  0.17716627  1
  C  C23  1  0.88238869  0.37609444  0.32596737  1
  C  C24  1  0.37565923  0.88186660  0.82283769  1
  C  C25  1  0.11760801  0.62390946  0.67403171  1
  C  C26  1  0.49719854  0.11861435  0.23210788  1
  C  C27  1  0.88328537  0.50189284  0.27137557  1
  C  C28  1  0.50280362  0.88137835  0.76789600  1
  C  C29  1  0.11671224  0.49811105  0.72862336  1
  C  C30  1  0.46933079  0.14453640  0.35982089  1
  C  C31  1  0.85639447  0.53172247  0.14378370  1
  C  C32  1  0.53066970  0.85545583  0.64018352  1
  C  C33  1  0.14360782  0.46828001  0.85621439  1
  C  C34  1  0.35594947  0.13919972  0.41643525  1
  C  C35  1  0.86209778  0.64567449  0.08923701  1
  C  C36  1  0.64404828  0.86079663  0.58356698  1
  C  C37  1  0.13790796  0.35432658  0.91076136  1
  C  C38  1  0.26882298  0.10933559  0.34243472  1
  C  C39  1  0.89388773  0.73095474  0.16485836  1
  C  C40  1  0.73117407  0.89066378  0.65756575  1
  C  C41  1  0.10611722  0.26904652  0.83514064  1
  C  C42  1  0.29516043  0.08461826  0.21592059  1
  C  C43  1  0.91691577  0.70384190  0.29130139  1
  C  C44  1  0.70483951  0.91538024  0.78408006  1
  C  C45  1  0.08308126  0.29616303  0.70869887  1
  C  C46  1  0.40809050  0.09114708  0.15824012  1
  C  C47  1  0.91151028  0.59005122  0.34644001  1
  C  C48  1  0.59191190  0.90884763  0.84176188  1
  C  C49  1  0.08848442  0.40995434  0.65355968  1
  N  N50  1  0.15215917  0.09333553  0.36761153  1
  N  N51  1  0.91202236  0.84648016  0.13950016  1
  N  N52  1  0.84783467  0.90666836  0.63238654  1
  N  N53  1  0.08799436  0.15351428  0.86049753  1
  N  N54  1  0.11705410  0.04660671  0.26448904  1
  N  N55  1  0.95644665  0.88205496  0.24008834  1
  N  N56  1  0.88294056  0.95339946  0.73550723  1
  N  N57  1  0.04355937  0.11794547  0.75991253  1
  N  N58  1  0.19548551  0.05208547  0.17126488  1
  N  N59  1  0.94863907  0.80481560  0.33661390  1
  N  N60  1  0.80451272  0.94791741  0.82873353  1
  N  N61  1  0.05136135  0.19518712  0.66338685  1
  O  O62  1  0.92798987  0.12382070  0.05525687  1
  O  O63  1  0.88154244  0.07172784  0.45089592  1
  O  O64  1  0.07200908  0.87617943  0.94473961  1
  O  O65  1  0.11845622  0.92827525  0.54910211  1
  O  O66  1  0.69781853  0.14781054  0.24990966  1
  O  O67  1  0.84963148  0.30337358  0.25603579  1
  O  O68  1  0.30218104  0.85218502  0.75009260  1
  O  O69  1  0.15036530  0.69663104  0.74396244  1
  O  O70  1  0.65202961  0.08498379  0.06417397  1
  O  O71  1  0.91598650  0.34734910  0.44025484  1
  O  O72  1  0.34797384  0.91500237  0.93583000  1
  O  O73  1  0.08400807  0.65265558  0.55974478  1
