# generated using pymatgen
data_VCr2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36220567
_cell_length_b   9.72243601
_cell_length_c   13.66572945
_cell_angle_alpha   103.46153952
_cell_angle_beta   90.00002334
_cell_angle_gamma   90.00014511
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Ni2H32C12(NO2)6
_chemical_formula_sum   'V2 Cr4 Ni4 H64 C24 N12 O24'
_cell_volume   1209.72732583
_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  0.09484552  0.86551904  0.73290216  1
  Ni  Ni1  1  0.59484135  0.63446545  0.76710355  1
  Ni  Ni2  1  0.90515317  0.13448267  0.26709620  1
  Ni  Ni3  1  0.40516422  0.36554255  0.23289381  1
  Cr  Cr4  1  0.94955346  0.56334822  0.72089430  1
  Cr  Cr5  1  0.44955369  0.93664208  0.77910971  1
  Cr  Cr6  1  0.05044737  0.43665321  0.27910548  1
  Cr  Cr7  1  0.55044437  0.06336017  0.22088858  1
  V  V8  1  0.00000023  0.99999945  0.99999901  1
  V  V9  1  0.50000018  0.49999984  0.50000057  1
  H  H10  1  0.19122471  0.19897809  0.09182648  1
  H  H11  1  0.69122088  0.30102259  0.40817175  1
  H  H12  1  0.80877556  0.80102255  0.90817334  1
  H  H13  1  0.30877956  0.69897763  0.59183016  1
  H  H14  1  0.27705428  0.10054527  0.99248072  1
  H  H15  1  0.77705350  0.39945479  0.50751624  1
  H  H16  1  0.72294545  0.89945462  0.00751891  1
  H  H17  1  0.22294717  0.60054498  0.49248618  1
  H  H18  1  0.52278611  0.46252542  0.87284896  1
  H  H19  1  0.02279178  0.03746275  0.62712943  1
  H  H20  1  0.47721920  0.53747796  0.12716550  1
  H  H21  1  0.97720672  0.96253930  0.37287315  1
  H  H22  1  0.54377267  0.22088796  0.89191339  1
  H  H23  1  0.04377340  0.27910041  0.60807697  1
  H  H24  1  0.45622428  0.77911288  0.10808212  1
  H  H25  1  0.95622533  0.72090079  0.39192262  1
  H  H26  1  0.77490360  0.03465313  0.84927499  1
  H  H27  1  0.27489842  0.46534209  0.65072855  1
  H  H28  1  0.22509500  0.96534823  0.15072283  1
  H  H29  1  0.72510311  0.53465706  0.34927293  1
  H  H30  1  0.92425150  0.11284899  0.80508791  1
  H  H31  1  0.42424420  0.38714615  0.69491640  1
  H  H32  1  0.07574816  0.88715221  0.19491072  1
  H  H33  1  0.57575667  0.61285198  0.30508489  1
  H  H34  1  0.21727482  0.33069629  0.96579470  1
  H  H35  1  0.71727336  0.16930390  0.53420309  1
  H  H36  1  0.78272532  0.66930258  0.03420369  1
  H  H37  1  0.28272690  0.83069453  0.46579833  1
  H  H38  1  0.15416137  0.18226708  0.87508705  1
  H  H39  1  0.65416436  0.31773301  0.62491138  1
  H  H40  1  0.84583836  0.81773132  0.12491224  1
  H  H41  1  0.34583538  0.68226540  0.37509049  1
  H  H42  1  0.58446518  0.38744127  0.06442785  1
  H  H43  1  0.08442627  0.11249703  0.43551781  1
  H  H44  1  0.41555150  0.61253153  0.93555069  1
  H  H45  1  0.91557028  0.88750065  0.56447857  1
  H  H46  1  0.74589276  0.43227955  0.00176234  1
  H  H47  1  0.24591730  0.06772135  0.49824937  1
  H  H48  1  0.25409909  0.56772151  0.99824243  1
  H  H49  1  0.75408291  0.93227813  0.50175147  1
  H  H50  1  0.79639357  0.26079438  0.10633590  1
  H  H51  1  0.29640013  0.23920961  0.39366651  1
  H  H52  1  0.20360416  0.73920277  0.89366286  1
  H  H53  1  0.70360126  0.76079094  0.60633413  1
  H  H54  1  0.69170302  0.13062037  0.02525436  1
  H  H55  1  0.19169833  0.36937646  0.47474958  1
  H  H56  1  0.30829731  0.86937704  0.97474336  1
  H  H57  1  0.80830277  0.63062425  0.52525118  1
  H  H58  1  0.80053573  0.33521177  0.81666772  1
  H  H59  1  0.30053166  0.16477911  0.68333123  1
  H  H60  1  0.19946512  0.66478777  0.18332990  1
  H  H61  1  0.69946650  0.83521862  0.31666872  1
  H  H62  1  0.69316619  0.19325735  0.75188176  1
  H  H63  1  0.19315434  0.30673481  0.74812122  1
  H  H64  1  0.30683456  0.80674406  0.24811826  1
  H  H65  1  0.80684379  0.69326414  0.25187940  1
  H  H66  1  0.98419559  0.35805742  0.05327267  1
  H  H67  1  0.48419158  0.14194538  0.44672961  1
  H  H68  1  0.01580475  0.64194221  0.94672607  1
  H  H69  1  0.51580926  0.85805482  0.55327087  1
  H  H70  1  0.96706129  0.36562918  0.92360418  1
  H  H71  1  0.46706226  0.13437183  0.57639757  1
  H  H72  1  0.03293929  0.63437154  0.07639478  1
  H  H73  1  0.53293661  0.86562590  0.42360205  1
  C  C74  1  0.83337948  0.13434700  0.85650323  1
  C  C75  1  0.33337532  0.36564967  0.64349879  1
  C  C76  1  0.16661944  0.86565447  0.14349506  1
  C  C77  1  0.66662474  0.63434907  0.35650249  1
  C  C78  1  0.14268500  0.24094655  0.95357367  1
  C  C79  1  0.64268465  0.25905462  0.54642488  1
  C  C80  1  0.85731454  0.75905319  0.04642530  1
  C  C81  1  0.35731629  0.74094470  0.45357663  1
  C  C82  1  0.67581773  0.34080959  0.99823426  1
  C  C83  1  0.17581774  0.15917033  0.50176125  1
  C  C84  1  0.32418247  0.65918396  0.00176436  1
  C  C85  1  0.82418257  0.84082905  0.49823804  1
  C  C86  1  0.75893565  0.22425316  0.02907638  1
  C  C87  1  0.25894698  0.27576003  0.47092909  1
  C  C88  1  0.24105974  0.77575020  0.97092296  1
  C  C89  1  0.74105455  0.72424161  0.52907176  1
  C  C90  1  0.73666587  0.24405502  0.82582542  1
  C  C91  1  0.23666631  0.25594585  0.67418417  1
  C  C92  1  0.26333200  0.75594917  0.17417722  1
  C  C93  1  0.76333326  0.74405386  0.32581639  1
  C  C94  1  0.99150956  0.29658136  0.97488227  1
  C  C95  1  0.49150717  0.20342109  0.52511930  1
  C  C96  1  0.00849040  0.70341900  0.02511648  1
  C  C97  1  0.50849289  0.79657776  0.47488119  1
  N  N98  1  0.88441978  0.17924035  0.96205308  1
  N  N99  1  0.38442296  0.32076478  0.53795151  1
  N  N100  1  0.11557731  0.82076170  0.03794567  1
  N  N101  1  0.61557794  0.67923514  0.46205006  1
  N  N102  1  0.17965942  0.14357674  0.01812234  1
  N  N103  1  0.67965733  0.35642236  0.48187502  1
  N  N104  1  0.82034111  0.85642282  0.98187697  1
  N  N105  1  0.32034234  0.64357645  0.51812621  1
  N  N106  1  0.62105666  0.29745997  0.89696814  1
  N  N107  1  0.12106486  0.20253788  0.60303362  1
  N  N108  1  0.37893765  0.70254599  0.10303196  1
  N  N109  1  0.87893651  0.79746110  0.39696618  1
  O  O110  1  0.04544694  0.93418618  0.87241621  1
  O  O111  1  0.54545548  0.56581430  0.62758158  1
  O  O112  1  0.95455298  0.06581336  0.12758353  1
  O  O113  1  0.45454425  0.43418466  0.37242200  1
  O  O114  1  -0.01974589  0.94943525  0.63926291  1
  O  O115  1  0.48024929  0.55054972  0.86072148  1
  O  O116  1  1.01974454  0.05056833  0.36073900  1
  O  O117  1  0.51975449  0.44945894  0.13929053  1
  O  O118  1  0.90235439  0.42722559  0.63019022  1
  O  O119  1  0.40235420  0.07275676  0.86981457  1
  O  O120  1  0.09764550  0.57277487  0.36981371  1
  O  O121  1  0.59764132  0.92724555  0.13018063  1
  O  O122  1  0.05700805  0.66799930  0.67011622  1
  O  O123  1  0.55700689  0.83198884  0.82988213  1
  O  O124  1  0.94298743  0.33200298  0.32988020  1
  O  O125  1  0.44299335  0.16801509  0.17011951  1
  O  O126  1  0.30384393  0.84338536  0.72594752  1
  O  O127  1  0.80384766  0.65660939  0.77405328  1
  O  O128  1  0.69615508  0.15661209  0.27405312  1
  O  O129  1  0.19615287  0.34339223  0.22594928  1
  O  O130  1  0.03752582  0.50732594  0.80769514  1
  O  O131  1  0.53752642  0.99266883  0.69230979  1
  O  O132  1  0.96248131  0.49268211  0.19230496  1
  O  O133  1  0.46247074  0.00732964  0.30768656  1
