# generated using pymatgen
data_VFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86579851
_cell_length_b   10.86077917
_cell_length_c   10.85448890
_cell_angle_alpha   89.24989832
_cell_angle_beta   89.03983636
_cell_angle_gamma   63.78318190
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeNiH8C14(NO)6
_chemical_formula_sum   'V2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1148.99214422
_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  0.90315368  0.09729738  0.25247669  1
  V  V1  1  0.09684383  0.90270632  0.74752094  1
  Fe  Fe2  1  0.85365436  0.99052325  -0.00594293  1
  Ni  Ni3  1  0.01702890  0.14804191  0.50465555  1
  Fe  Fe4  1  0.14634752  0.00947474  1.00594233  1
  Ni  Ni5  1  0.98296757  0.85196338  0.49534421  1
  H  H6  1  0.53683066  0.16785502  0.41538309  1
  H  H7  1  0.83100174  0.46381368  0.08692125  1
  H  H8  1  0.46317150  0.83213445  0.58462128  1
  H  H9  1  0.16900355  0.53618782  0.91307557  1
  H  H10  1  0.33272818  0.15542330  0.51366551  1
  H  H11  1  0.84324435  0.66823385  0.98982107  1
  H  H12  1  0.66726707  0.84457568  0.48633555  1
  H  H13  1  0.15676237  0.33176790  0.01017747  1
  H  H14  1  0.42466138  0.07393564  0.05944421  1
  H  H15  1  0.92966242  0.57356242  0.44239466  1
  H  H16  1  0.57534063  0.92606095  0.94055749  1
  H  H17  1  0.07032999  0.42644321  0.55760615  1
  H  H18  1  0.87803372  0.21334578  0.04383651  1
  H  H19  1  0.79231886  0.12293855  0.45753032  1
  H  H20  1  0.12196743  0.78665484  0.95616162  1
  H  H21  1  0.20767857  0.87706570  0.54246753  1
  C  C22  1  0.62413307  0.11729430  0.17522428  1
  C  C23  1  0.88374257  0.37485064  0.32604575  1
  C  C24  1  0.37586980  0.88269598  0.82477903  1
  C  C25  1  0.11625331  0.62515267  0.67395139  1
  C  C26  1  0.49684374  0.11797580  0.23152219  1
  C  C27  1  0.88344567  0.50234601  0.27047812  1
  C  C28  1  0.50315848  0.88201539  0.76848149  1
  C  C29  1  0.11655302  0.49765699  0.72952048  1
  C  C30  1  0.46790548  0.14356706  0.35949475  1
  C  C31  1  0.85632910  0.53191142  0.14301471  1
  C  C32  1  0.53209597  0.85642515  0.64050845  1
  C  C33  1  0.14367399  0.46809087  0.85698292  1
  C  C34  1  0.35411515  0.13773430  0.41540137  1
  C  C35  1  0.86218499  0.64575499  0.08773027  1
  C  C36  1  0.64588341  0.86226254  0.58460039  1
  C  C37  1  0.13782033  0.35424648  0.91226830  1
  C  C38  1  0.26686993  0.10684024  0.34156602  1
  C  C39  1  0.89466685  0.73161356  0.16197061  1
  C  C40  1  0.73312785  0.89315870  0.65843414  1
  C  C41  1  0.10533792  0.26838789  0.83802905  1
  C  C42  1  0.29386161  0.08362825  0.21474012  1
  C  C43  1  0.91881078  0.70525885  0.28858417  1
  C  C44  1  0.70613861  0.91636924  0.78526021  1
  C  C45  1  0.08118688  0.29474504  0.71141673  1
  C  C46  1  0.40732208  0.09052574  0.15800082  1
  C  C47  1  0.91218877  0.59119470  0.34415565  1
  C  C48  1  0.59267985  0.90946908  0.84200088  1
  C  C49  1  0.08780705  0.40880977  0.65584431  1
  N  N50  1  0.15109255  0.08978032  0.36842226  1
  N  N51  1  0.91204304  0.84645406  0.13507484  1
  N  N52  1  0.84890351  0.91022309  0.63157560  1
  N  N53  1  0.08796983  0.15354269  0.86492397  1
  N  N54  1  0.10666935  0.05874401  0.26379178  1
  N  N55  1  0.94233266  0.89228354  0.24017987  1
  N  N56  1  0.89332654  0.94126057  0.73620605  1
  N  N57  1  0.05767134  0.10771699  0.75982031  1
  N  N58  1  0.19296199  0.05416366  0.16980257  1
  N  N59  1  0.94825384  0.80713898  0.33378333  1
  N  N60  1  0.80703563  0.94583925  0.83019631  1
  N  N61  1  0.05174373  0.19286515  0.66621791  1
  O  O62  1  0.92804781  0.11725779  0.06939488  1
  O  O63  1  0.88859558  0.07568711  0.43094223  1
  O  O64  1  0.07195164  0.88274287  0.93060323  1
  O  O65  1  0.11140202  0.92431748  0.56905554  1
  O  O66  1  0.70062398  0.14642303  0.24735687  1
  O  O67  1  0.85326678  0.29951373  0.25329464  1
  O  O68  1  0.29937466  0.85357494  0.75264414  1
  O  O69  1  0.14673018  0.70048999  0.74670244  1
  O  O70  1  0.65100662  0.08575976  0.06250979  1
  O  O71  1  0.91554596  0.34786104  0.43822752  1
  O  O72  1  0.34899933  0.91422230  0.93749540  1
  O  O73  1  0.08444739  0.65214304  0.56177027  1
