# generated using pymatgen
data_V3Cr2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35728741
_cell_length_b   9.70973326
_cell_length_c   13.66861391
_cell_angle_alpha   103.34706113
_cell_angle_beta   90.00001263
_cell_angle_gamma   90.00013323
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Cr2H32C12(NO2)6
_chemical_formula_sum   'V6 Cr4 H64 C24 N12 O24'
_cell_volume   1208.34218652
_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
  Cr  Cr0  1  0.10031376  0.87484765  0.73548225  1
  Cr  Cr1  1  0.60031646  0.62514474  0.76451815  1
  Cr  Cr2  1  0.89968458  0.12515151  0.26451660  1
  Cr  Cr3  1  0.39968252  0.37485736  0.23548395  1
  V  V4  1  0.95697026  0.56177826  0.72065133  1
  V  V5  1  0.45697005  0.93821325  0.77935052  1
  V  V6  1  0.04302813  0.43822351  0.27935003  1
  V  V7  1  0.54302820  0.06178585  0.22064787  1
  V  V8  1  -0.00000016  0.99999996  0.99999976  1
  V  V9  1  0.50000055  0.50000009  0.50000090  1
  H  H10  1  0.19765374  0.19575277  0.08891907  1
  H  H11  1  0.69765069  0.30424479  0.41107781  1
  H  H12  1  0.80234657  0.80424684  0.91107975  1
  H  H13  1  0.30235089  0.69575651  0.58892377  1
  H  H14  1  0.27978252  0.09938388  0.98766028  1
  H  H15  1  0.77978124  0.40061492  0.51233477  1
  H  H16  1  0.72021762  0.90061591  0.01233871  1
  H  H17  1  0.22021908  0.59938581  0.48766706  1
  H  H18  1  0.57805627  0.38055648  0.86502196  1
  H  H19  1  0.07805927  0.11943588  0.63497871  1
  H  H20  1  0.42194330  0.61944463  0.13497894  1
  H  H21  1  0.92194002  0.88056416  0.36502000  1
  H  H22  1  0.54694147  0.21093279  0.88240891  1
  H  H23  1  0.04694133  0.28905911  0.61759334  1
  H  H24  1  0.45305742  0.78906804  0.11759039  1
  H  H25  1  0.95305841  0.71094170  0.38240729  1
  H  H26  1  0.77576088  0.03361155  0.84820763  1
  H  H27  1  0.27576012  0.46638494  0.65179492  1
  H  H28  1  0.22423829  0.96638920  0.15179097  1
  H  H29  1  0.72424093  0.53361388  0.34820769  1
  H  H30  1  0.92993815  0.10793655  0.80539542  1
  H  H31  1  0.42993856  0.39206129  0.69460636  1
  H  H32  1  0.07006052  0.89206447  0.19460320  1
  H  H33  1  0.57006198  0.60793607  0.30539573  1
  H  H34  1  0.21584421  0.33018371  0.96650250  1
  H  H35  1  0.71584416  0.16981507  0.53349501  1
  H  H36  1  0.78415655  0.66981564  0.03349571  1
  H  H37  1  0.28415746  0.83018442  0.46650602  1
  H  H38  1  0.15162666  0.18351070  0.87468982  1
  H  H39  1  0.65163076  0.31648925  0.62530853  1
  H  H40  1  0.84837366  0.81648793  0.12530910  1
  H  H41  1  0.34837060  0.68351006  0.37469267  1
  H  H42  1  0.57759235  0.36538491  0.04318667  1
  H  H43  1  0.07759402  0.13460925  0.45681467  1
  H  H44  1  0.42240786  0.63461398  0.95681373  1
  H  H45  1  0.92240583  0.86539421  0.54318449  1
  H  H46  1  0.73679902  0.43341160  0.00171392  1
  H  H47  1  0.23680210  0.06658540  0.49828698  1
  H  H48  1  0.26320044  0.56658844  0.99828618  1
  H  H49  1  0.76319606  0.93341498  0.50171176  1
  H  H50  1  0.79061936  0.25918238  0.10423351  1
  H  H51  1  0.29061808  0.24081764  0.39576785  1
  H  H52  1  0.20938165  0.74081699  0.89576577  1
  H  H53  1  0.70938458  0.75918374  0.60423287  1
  H  H54  1  0.68860899  0.12742051  0.02142862  1
  H  H55  1  0.18860714  0.37257652  0.47857482  1
  H  H56  1  0.31139202  0.87257877  0.97857078  1
  H  H57  1  0.81139616  0.62742564  0.52142575  1
  H  H58  1  0.80957583  0.33489397  0.81417360  1
  H  H59  1  0.30957856  0.16510248  0.68582810  1
  H  H60  1  0.19042288  0.66510728  0.18582627  1
  H  H61  1  0.69042077  0.83489411  0.31417002  1
  H  H62  1  0.70369278  0.19231271  0.74532384  1
  H  H63  1  0.20369386  0.30768288  0.75467765  1
  H  H64  1  0.29630608  0.80768868  0.25467589  1
  H  H65  1  0.79630644  0.69231335  0.24532251  1
  H  H66  1  0.98303680  0.35306758  0.05643197  1
  H  H67  1  0.48303494  0.14693210  0.44356893  1
  H  H68  1  0.01696386  0.64693227  0.94356611  1
  H  H69  1  0.51696644  0.85306779  0.55643220  1
  H  H70  1  0.96538518  0.36777179  0.92849178  1
  H  H71  1  0.46538652  0.13222690  0.57150923  1
  H  H72  1  0.03461562  0.63222783  0.07150642  1
  H  H73  1  0.53461404  0.86777230  0.42849139  1
  C  C74  1  0.83687361  0.13192871  0.85496175  1
  C  C75  1  0.33687343  0.36806839  0.64504034  1
  C  C76  1  0.16312579  0.86807178  0.14503704  1
  C  C77  1  0.66312696  0.63193008  0.35496100  1
  C  C78  1  0.14146344  0.24027176  0.95366420  1
  C  C79  1  0.64146401  0.25972733  0.54633399  1
  C  C80  1  0.85853694  0.75972763  0.04633432  1
  C  C81  1  0.35853735  0.74027226  0.45366704  1
  C  C82  1  0.67186499  0.33761007  0.99507603  1
  C  C83  1  0.17186675  0.16238533  0.50492526  1
  C  C84  1  0.32813495  0.66238948  0.00492400  1
  C  C85  1  0.82813308  0.83761626  0.49507430  1
  C  C86  1  0.75584258  0.22126113  0.02624028  1
  C  C87  1  0.25584208  0.27873695  0.47376185  1
  C  C88  1  0.24415790  0.77873860  0.97375883  1
  C  C89  1  0.74415966  0.72126445  0.52623895  1
  C  C90  1  0.74689017  0.24136126  0.81981627  1
  C  C91  1  0.24689194  0.25863403  0.68018523  1
  C  C92  1  0.25310883  0.75863982  0.18018322  1
  C  C93  1  0.75310781  0.74136365  0.31981481  1
  C  C94  1  0.99078137  0.29511107  0.97723062  1
  C  C95  1  0.49078110  0.20488822  0.52277071  1
  C  C96  1  0.00921911  0.70488840  0.02276802  1
  C  C97  1  0.50921995  0.79511183  0.47723058  1
  N  N98  1  0.88393594  0.17706727  0.96178245  1
  N  N99  1  0.38393582  0.32293145  0.53821928  1
  N  N100  1  0.11606415  0.82293280  0.03821641  1
  N  N101  1  0.61606579  0.67706837  0.46178217  1
  N  N102  1  0.18203872  0.13991438  0.01579986  1
  N  N103  1  0.68203756  0.36008430  0.48419773  1
  N  N104  1  0.81796132  0.86008559  0.98419916  1
  N  N105  1  0.31796347  0.63991626  0.51580406  1
  N  N106  1  0.62478236  0.29175968  0.88864681  1
  N  N107  1  0.12478432  0.20823390  0.61135455  1
  N  N108  1  0.37521705  0.70824081  0.11135317  1
  N  N109  1  0.87521540  0.79176683  0.38864492  1
  O  O110  1  0.04898108  0.92652300  0.86943051  1
  O  O111  1  0.54898574  0.57347551  0.63056920  1
  O  O112  1  0.95101875  0.07347670  0.13056870  1
  O  O113  1  0.45101430  0.42652536  0.36943252  1
  O  O114  1  0.02949155  0.99184688  0.67378934  1
  O  O115  1  0.52949071  0.50814393  0.82620891  1
  O  O116  1  0.97050761  0.00815339  0.32620968  1
  O  O117  1  0.47050874  0.49185820  0.17379343  1
  O  O118  1  0.92486785  0.42138672  0.62334102  1
  O  O119  1  0.42487070  0.07860160  0.87666431  1
  O  O120  1  0.07512964  0.57861208  0.37666295  1
  O  O121  1  0.57512591  0.92140027  0.12333190  1
  O  O122  1  0.05021277  0.69432002  0.67230578  1
  O  O123  1  0.55021533  0.80567044  0.82769331  1
  O  O124  1  0.94978157  0.30568041  0.32769170  1
  O  O125  1  0.44978292  0.19433193  0.17230875  1
  O  O126  1  0.29432816  0.85739423  0.72032451  1
  O  O127  1  0.79433033  0.64259675  0.77967966  1
  O  O128  1  0.70567050  0.14260188  0.27967495  1
  O  O129  1  0.20566897  0.35740587  0.22032249  1
  O  O130  1  0.05465636  0.51024648  0.80797664  1
  O  O131  1  0.55465120  0.98974976  0.69202513  1
  O  O132  1  0.94534661  0.48976008  0.19202483  1
  O  O133  1  0.44534719  0.01024647  0.30797231  1
