# generated using pymatgen
data_V2Fe2CoH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36117838
_cell_length_b   9.71403983
_cell_length_c   13.66123571
_cell_angle_alpha   103.40306634
_cell_angle_beta   90.00001553
_cell_angle_gamma   90.00012686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Fe2CoH32C12(NO2)6
_chemical_formula_sum   'V4 Fe4 Co2 H64 C24 N12 O24'
_cell_volume   1208.44709045
_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  0.09730848  0.86766881  0.73446304  1
  Fe  Fe1  1  0.59731074  0.63232476  0.76553795  1
  Fe  Fe2  1  0.90268883  0.13233142  0.26553546  1
  Fe  Fe3  1  0.40268917  0.36767902  0.23446513  1
  V  V4  1  0.95471058  0.55483921  0.72490010  1
  V  V5  1  0.45471098  0.94515248  0.77510124  1
  V  V6  1  0.04528768  0.44516229  0.27510079  1
  V  V7  1  0.54528583  0.05484660  0.22489693  1
  Co  Co8  1  -0.00000460  1.00000601  0.99999969  1
  Co  Co9  1  0.50000071  0.50000065  0.50000336  1
  H  H10  1  0.18883638  0.19300829  0.09004907  1
  H  H11  1  0.68883025  0.30699181  0.40994923  1
  H  H12  1  0.81116361  0.80699036  0.90994970  1
  H  H13  1  0.31116784  0.69301014  0.59005135  1
  H  H14  1  0.27562724  0.09781721  0.98978972  1
  H  H15  1  0.77562569  0.40218246  0.51020772  1
  H  H16  1  0.72437093  0.90218101  0.01020998  1
  H  H17  1  0.22437508  0.59781951  0.48979364  1
  H  H18  1  0.54577566  0.43715288  0.85519247  1
  H  H19  1  0.04577570  0.06283700  0.64480491  1
  H  H20  1  0.45422267  0.56285127  0.14481162  1
  H  H21  1  0.95422499  0.93716432  0.35519389  1
  H  H22  1  0.54258942  0.22041202  0.88596186  1
  H  H23  1  0.04258970  0.27958243  0.61403869  1
  H  H24  1  0.45741076  0.77958830  0.11403703  1
  H  H25  1  0.95740991  0.72041873  0.38596311  1
  H  H26  1  0.77889019  0.03228390  0.85124607  1
  H  H27  1  0.27889053  0.46771351  0.64875568  1
  H  H28  1  0.22111029  0.96771700  0.14875282  1
  H  H29  1  0.72111318  0.53228522  0.35124768  1
  H  H30  1  0.92810918  0.10976319  0.80590650  1
  H  H31  1  0.42810873  0.39023403  0.69409543  1
  H  H32  1  0.07189000  0.89023779  0.19409256  1
  H  H33  1  0.57189392  0.60976018  0.30590454  1
  H  H34  1  0.21613910  0.32819635  0.96668510  1
  H  H35  1  0.71613900  0.17180330  0.53331191  1
  H  H36  1  0.78386279  0.67180283  0.03331203  1
  H  H37  1  0.28386241  0.82819529  0.46668858  1
  H  H38  1  0.15058032  0.18231628  0.87554288  1
  H  H39  1  0.65058193  0.31768213  0.62445613  1
  H  H40  1  0.84942136  0.81768112  0.12445586  1
  H  H41  1  0.34942017  0.68231624  0.37554579  1
  H  H42  1  0.58319975  0.36472497  0.04885850  1
  H  H43  1  0.08320106  0.13527178  0.45114122  1
  H  H44  1  0.41680010  0.63527342  0.95114097  1
  H  H45  1  0.91679931  0.86473011  0.54885870  1
  H  H46  1  0.73873596  0.43244843  0.00519057  1
  H  H47  1  0.23873894  0.06755009  0.49481228  1
  H  H48  1  0.26126287  0.56755145  0.99481002  1
  H  H49  1  0.76126020  0.93244940  0.50518606  1
  H  H50  1  0.79670600  0.25662655  0.10549263  1
  H  H51  1  0.29670445  0.24337458  0.39450855  1
  H  H52  1  0.20329485  0.74337374  0.89450685  1
  H  H53  1  0.70329650  0.75662583  0.60549182  1
  H  H54  1  0.69374020  0.12695039  0.02403332  1
  H  H55  1  0.19373851  0.37304804  0.47596857  1
  H  H56  1  0.30626062  0.87304902  0.97596630  1
  H  H57  1  0.80626318  0.62695323  0.52403198  1
  H  H58  1  0.80344027  0.32743410  0.80968532  1
  H  H59  1  0.30344070  0.17256220  0.69031461  1
  H  H60  1  0.19656015  0.67256652  0.19031374  1
  H  H61  1  0.69655902  0.82743513  0.30968489  1
  H  H62  1  0.69503532  0.18194177  0.75035863  1
  H  H63  1  0.19503567  0.31805402  0.74964299  1
  H  H64  1  0.30496457  0.81806060  0.24964152  1
  H  H65  1  0.80496524  0.68194278  0.25035746  1
  H  H66  1  0.98322980  0.35804829  0.05611789  1
  H  H67  1  0.48322845  0.14195191  0.44388205  1
  H  H68  1  0.01677122  0.64195173  0.94388043  1
  H  H69  1  0.51677278  0.85804918  0.55611940  1
  H  H70  1  0.97065534  0.36776003  0.92579639  1
  H  H71  1  0.47065544  0.13223793  0.57420362  1
  H  H72  1  0.02934515  0.63223885  0.07420219  1
  H  H73  1  0.52934450  0.86775993  0.42579668  1
  C  C74  1  0.83719364  0.13170236  0.85708087  1
  C  C75  1  0.33719403  0.36829511  0.64292012  1
  C  C76  1  0.16280544  0.86829813  0.14291752  1
  C  C77  1  0.66280791  0.63170269  0.35708099  1
  C  C78  1  0.14084356  0.23911653  0.95447284  1
  C  C79  1  0.64084302  0.26088245  0.54552605  1
  C  C80  1  0.85915762  0.76088256  0.04552544  1
  C  C81  1  0.35915902  0.73911661  0.45447552  1
  C  C82  1  0.67366404  0.33607014  0.99652935  1
  C  C83  1  0.17366496  0.16392646  0.50347142  1
  C  C84  1  0.32633570  0.66392870  0.00347007  1
  C  C85  1  0.82633559  0.83607359  0.49652884  1
  C  C86  1  0.76037688  0.22072930  0.02791560  1
  C  C87  1  0.26037631  0.27927002  0.47208624  1
  C  C88  1  0.23962266  0.77927064  0.97208411  1
  C  C89  1  0.73962429  0.72073020  0.52791425  1
  C  C90  1  0.74026752  0.23785605  0.82280561  1
  C  C91  1  0.24026901  0.26214123  0.67719496  1
  C  C92  1  0.25973201  0.76214568  0.17719370  1
  C  C93  1  0.75973150  0.73785653  0.32280514  1
  C  C94  1  0.99136981  0.29702875  0.97695315  1
  C  C95  1  0.49136868  0.20297057  0.52304716  1
  C  C96  1  0.00863196  0.70297107  0.02304552  1
  C  C97  1  0.50863214  0.79702905  0.47695360  1
  N  N98  1  0.88548028  0.17976786  0.96211882  1
  N  N99  1  0.38548008  0.32023130  0.53788229  1
  N  N100  1  0.11451976  0.82023090  0.03787959  1
  N  N101  1  0.61452028  0.67976845  0.46211867  1
  N  N102  1  0.17780821  0.13948011  0.01611414  1
  N  N103  1  0.67780423  0.36051952  0.48388425  1
  N  N104  1  0.82219436  0.86051928  0.98388436  1
  N  N105  1  0.32219323  0.63948012  0.51611661  1
  N  N106  1  0.62573142  0.29287560  0.89280977  1
  N  N107  1  0.12573267  0.20712084  0.60719150  1
  N  N108  1  0.37426827  0.70712485  0.10718994  1
  N  N109  1  0.87426740  0.79287849  0.39280773  1
  O  O110  1  0.04945645  0.92034770  0.87442404  1
  O  O111  1  0.54946443  0.57965529  0.62557364  1
  O  O112  1  0.95054126  0.07965504  0.12557133  1
  O  O113  1  0.45053728  0.42034139  0.37442916  1
  O  O114  1  -0.00495070  0.98496677  0.66726261  1
  O  O115  1  0.49504942  0.51502006  0.83273086  1
  O  O116  1  1.00494963  0.01503645  0.33273740  1
  O  O117  1  0.50495138  0.48498413  0.16727204  1
  O  O118  1  0.91115815  0.41336763  0.62994171  1
  O  O119  1  0.41116253  0.08662547  0.87006007  1
  O  O120  1  0.08884175  0.58663055  0.37006252  1
  O  O121  1  0.58883576  0.91337865  0.12993537  1
  O  O122  1  0.05185184  0.67869429  0.67217716  1
  O  O123  1  0.55185406  0.82129754  0.82782302  1
  O  O124  1  0.94814137  0.32130616  0.32782056  1
  O  O125  1  0.44814351  0.17870625  0.17217834  1
  O  O126  1  0.29574292  0.86246424  0.71435264  1
  O  O127  1  0.79574410  0.63752924  0.78565215  1
  O  O128  1  0.70425539  0.13753094  0.28564755  1
  O  O129  1  0.20425466  0.36247473  0.21434957  1
  O  O130  1  0.05397350  0.50335904  0.81362438  1
  O  O131  1  0.55397139  0.99663270  0.68637530  1
  O  O132  1  0.94602698  0.49664702  0.18637766  1
  O  O133  1  0.44602635  0.00336185  0.31362118  1
