# generated using pymatgen
data_VCrFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88327060
_cell_length_b   10.87322701
_cell_length_c   10.86030541
_cell_angle_alpha   89.19912165
_cell_angle_beta   89.03201972
_cell_angle_gamma   63.70099813
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrFeH8C14(NO)6
_chemical_formula_sum   'V2 Cr2 Fe2 H16 C28 N12 O12'
_cell_volume   1151.95099868
_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  0.90634087  0.09117609  0.24654206  1
  Fe  Fe1  1  0.09365880  0.90882662  0.75345703  1
  V  V2  1  0.85467568  0.98732675  0.00285444  1
  Cr  Cr3  1  0.01439460  0.14203856  0.50084989  1
  V  V4  1  0.14532442  0.01266804  0.99714707  1
  Cr  Cr5  1  0.98560931  0.85796504  0.49914447  1
  H  H6  1  0.53572473  0.16878324  0.41371368  1
  H  H7  1  0.82931082  0.46038886  0.08840446  1
  H  H8  1  0.46427768  0.83120643  0.58628975  1
  H  H9  1  0.17069424  0.53961367  0.91159143  1
  H  H10  1  0.33188357  0.15536430  0.51005564  1
  H  H11  1  0.84145902  0.66323873  0.98918101  1
  H  H12  1  0.66811277  0.84463360  0.48994444  1
  H  H13  1  0.15854922  0.33676414  0.01081782  1
  H  H14  1  0.42685766  0.07533335  0.05559761  1
  H  H15  1  0.92840058  0.57338564  0.44312104  1
  H  H16  1  0.57314235  0.92466302  0.94440404  1
  H  H17  1  0.07159146  0.42661810  0.55688011  1
  H  H18  1  0.87324654  0.21893853  0.03398632  1
  H  H19  1  0.79037314  0.11025953  0.46592948  1
  H  H20  1  0.12675578  0.78106227  0.96601071  1
  H  H21  1  0.20962368  0.88974398  0.53406718  1
  C  C22  1  0.62349851  0.11857692  0.17467913  1
  C  C23  1  0.88488490  0.37096923  0.32470973  1
  C  C24  1  0.37650443  0.88141429  0.82532473  1
  C  C25  1  0.11511152  0.62903511  0.67528836  1
  C  C26  1  0.49755822  0.11784611  0.22945171  1
  C  C27  1  0.88363512  0.49907315  0.27143868  1
  C  C28  1  0.50244345  0.88214668  0.77055087  1
  C  C29  1  0.11636231  0.50093031  0.72856004  1
  C  C30  1  0.46803352  0.14340515  0.35733710  1
  C  C31  1  0.85572860  0.52801553  0.14380112  1
  C  C32  1  0.53196812  0.85658673  0.64266542  1
  C  C33  1  0.14427390  0.47198727  0.85619693  1
  C  C34  1  0.35374665  0.13767462  0.41187790  1
  C  C35  1  0.86021761  0.64163460  0.08704278  1
  C  C36  1  0.64625241  0.86232126  0.58812298  1
  C  C37  1  0.13978812  0.35836733  0.91295637  1
  C  C38  1  0.26765269  0.10767929  0.33588657  1
  C  C39  1  0.89019516  0.72914925  0.16065814  1
  C  C40  1  0.73234500  0.89231936  0.66411317  1
  C  C41  1  0.10981006  0.27085165  0.83934299  1
  C  C42  1  0.29505138  0.08547697  0.20934202  1
  C  C43  1  0.91471621  0.70325863  0.28700585  1
  C  C44  1  0.70494798  0.91452018  0.79065815  1
  C  C45  1  0.08528165  0.29674413  0.71299659  1
  C  C46  1  0.40897941  0.09088975  0.15409295  1
  C  C47  1  0.91090210  0.58933134  0.34481020  1
  C  C48  1  0.59102155  0.90910483  0.84590874  1
  C  C49  1  0.08909268  0.41067214  0.65519060  1
  N  N50  1  0.15296380  0.08716750  0.35995866  1
  N  N51  1  0.90639487  0.84581148  0.13480900  1
  N  N52  1  0.84702990  0.91283785  0.64003631  1
  N  N53  1  0.09361763  0.15418608  0.86519438  1
  N  N54  1  0.11908892  0.04129391  0.25838588  1
  N  N55  1  0.95587636  0.87951532  0.23660411  1
  N  N56  1  0.88090279  0.95871394  0.74160901  1
  N  N57  1  0.04413139  0.12048188  0.76339924  1
  N  N58  1  0.19495209  0.05317030  0.16287870  1
  N  N59  1  0.94488326  0.80471632  0.33148151  1
  N  N60  1  0.80504558  0.94683196  0.83711859  1
  N  N61  1  0.05511069  0.19528754  0.66852387  1
  O  O62  1  0.92738835  0.12010639  0.04666419  1
  O  O63  1  0.88687425  0.06025286  0.44288659  1
  O  O64  1  0.07261012  0.87989351  0.95333120  1
  O  O65  1  0.11312319  0.93974966  0.55711299  1
  O  O66  1  0.69766580  0.14898773  0.24474128  1
  O  O67  1  0.85133593  0.29998019  0.25345368  1
  O  O68  1  0.30233556  0.85100820  0.75526009  1
  O  O69  1  0.14865959  0.70002550  0.74654343  1
  O  O70  1  0.65248748  0.08525011  0.06011489  1
  O  O71  1  0.92234886  0.33742167  0.43765759  1
  O  O72  1  0.34751590  0.91473940  0.93988930  1
  O  O73  1  0.07764803  0.66258322  0.56234040  1
