# generated using pymatgen
data_V2Cr3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35698532
_cell_length_b   9.71089049
_cell_length_c   13.67127198
_cell_angle_alpha   103.34203263
_cell_angle_beta   90.00001110
_cell_angle_gamma   90.00013019
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Cr3H32C12(NO2)6
_chemical_formula_sum   'V4 Cr6 H64 C24 N12 O24'
_cell_volume   1208.70734856
_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  0.10002816  0.87426327  0.73457323  1
  Cr  Cr1  1  0.60003011  0.62572964  0.76542630  1
  Cr  Cr2  1  0.89997025  0.12573561  0.26542545  1
  Cr  Cr3  1  0.39996967  0.37427142  0.23457511  1
  V  V4  1  0.95666139  0.56255982  0.72125100  1
  V  V5  1  0.45666258  0.93743146  0.77875037  1
  V  V6  1  0.04333774  0.43744215  0.27874959  1
  V  V7  1  0.54333550  0.06256798  0.22124873  1
  Cr  Cr8  1  0.00000022  0.99999966  0.99999957  1
  Cr  Cr9  1  0.50000061  0.49999993  0.50000073  1
  H  H10  1  0.19794492  0.19588294  0.08898464  1
  H  H11  1  0.69794062  0.30411594  0.41101336  1
  H  H12  1  0.80205444  0.80411658  0.91101441  1
  H  H13  1  0.30206122  0.69588464  0.58898854  1
  H  H14  1  0.28046550  0.10138499  0.98732027  1
  H  H15  1  0.78046491  0.39861445  0.51267664  1
  H  H16  1  0.71953421  0.89861509  0.01267950  1
  H  H17  1  0.21953435  0.60138711  0.48732590  1
  H  H18  1  0.57812337  0.38114264  0.86580437  1
  H  H19  1  0.07812658  0.11884863  0.63419767  1
  H  H20  1  0.42187599  0.61885875  0.13419646  1
  H  H21  1  0.92187203  0.88115232  0.36580107  1
  H  H22  1  0.54691290  0.21162694  0.88207106  1
  H  H23  1  0.04691307  0.28836339  0.61793175  1
  H  H24  1  0.45308562  0.78837413  0.11792887  1
  H  H25  1  0.95308679  0.71163849  0.38206812  1
  H  H26  1  0.77666563  0.03422108  0.84800557  1
  H  H27  1  0.27666427  0.46577493  0.65199747  1
  H  H28  1  0.22333406  0.96577949  0.15199276  1
  H  H29  1  0.72333676  0.53422483  0.34800576  1
  H  H30  1  0.93021702  0.10926013  0.80552440  1
  H  H31  1  0.43021701  0.39073781  0.69447725  1
  H  H32  1  0.06978215  0.89074123  0.19447393  1
  H  H33  1  0.56978296  0.60925877  0.30552450  1
  H  H34  1  0.21507176  0.33257000  0.96647254  1
  H  H35  1  0.71507109  0.16742950  0.53352542  1
  H  H36  1  0.78492883  0.66742870  0.03352563  1
  H  H37  1  0.28492954  0.83257011  0.46647582  1
  H  H38  1  0.15202746  0.18527268  0.87535124  1
  H  H39  1  0.65202925  0.31472602  0.62464762  1
  H  H40  1  0.84797241  0.81472554  0.12464739  1
  H  H41  1  0.34797196  0.68527331  0.37535402  1
  H  H42  1  0.57739715  0.36524445  0.04309855  1
  H  H43  1  0.07739905  0.13474787  0.45690277  1
  H  H44  1  0.42260318  0.63475493  0.95690172  1
  H  H45  1  0.92260134  0.86525559  0.54309600  1
  H  H46  1  0.73635897  0.43387447  0.00175754  1
  H  H47  1  0.23636199  0.06612158  0.49824374  1
  H  H48  1  0.26364115  0.56612579  0.99824264  1
  H  H49  1  0.76363653  0.93387948  0.50175527  1
  H  H50  1  0.79012131  0.25998123  0.10402481  1
  H  H51  1  0.29011956  0.24001911  0.39597749  1
  H  H52  1  0.20987978  0.74001824  0.89597452  1
  H  H53  1  0.70988345  0.75998358  0.60402384  1
  H  H54  1  0.68928389  0.12763529  0.02105363  1
  H  H55  1  0.18928040  0.37236063  0.47894963  1
  H  H56  1  0.31071701  0.87236408  0.97894546  1
  H  H57  1  0.81072228  0.62764218  0.52105079  1
  H  H58  1  0.80946179  0.33521744  0.81390488  1
  H  H59  1  0.30946518  0.16477869  0.68609779  1
  H  H60  1  0.19053651  0.66478404  0.18609495  1
  H  H61  1  0.69053335  0.83521816  0.31390036  1
  H  H62  1  0.70358404  0.19251054  0.74531789  1
  H  H63  1  0.20358536  0.30748453  0.75468377  1
  H  H64  1  0.29641421  0.80749115  0.25468190  1
  H  H65  1  0.79641432  0.69251134  0.24531666  1
  H  H66  1  0.98246464  0.35437095  0.05611868  1
  H  H67  1  0.48246199  0.14562817  0.44388206  1
  H  H68  1  0.01753598  0.64562923  0.94387969  1
  H  H69  1  0.51753974  0.85437298  0.55611918  1
  H  H70  1  0.96616305  0.36795840  0.92761033  1
  H  H71  1  0.46616295  0.13204101  0.57239090  1
  H  H72  1  0.03383766  0.63204145  0.07238815  1
  H  H73  1  0.53383740  0.86795832  0.42760985  1
  C  C74  1  0.83733797  0.13286226  0.85501545  1
  C  C75  1  0.33733825  0.36713437  0.64498667  1
  C  C76  1  0.16266114  0.86713838  0.14498330  1
  C  C77  1  0.66266274  0.63286461  0.35501538  1
  C  C78  1  0.14156428  0.24188963  0.95407192  1
  C  C79  1  0.64156395  0.25810985  0.54592709  1
  C  C80  1  0.85843595  0.75811019  0.04592701  1
  C  C81  1  0.35843695  0.74188949  0.45407430  1
  C  C82  1  0.67173021  0.33792783  0.99508006  1
  C  C83  1  0.17173260  0.16206594  0.50492171  1
  C  C84  1  0.32826907  0.66207149  0.00492018  1
  C  C85  1  0.82826692  0.83793628  0.49507763  1
  C  C86  1  0.75616956  0.22175083  0.02597622  1
  C  C87  1  0.25616859  0.27824669  0.47402571  1
  C  C88  1  0.24383107  0.77824867  0.97402277  1
  C  C89  1  0.74383379  0.72175479  0.52597457  1
  C  C90  1  0.74690771  0.24184388  0.81965846  1
  C  C91  1  0.24690943  0.25815059  0.68034346  1
  C  C92  1  0.25309080  0.75815709  0.18034118  1
  C  C93  1  0.75308958  0.74184710  0.31965636  1
  C  C94  1  0.99050834  0.29609684  0.97710538  1
  C  C95  1  0.49050748  0.20390249  0.52289536  1
  C  C96  1  0.00949189  0.70390293  0.02289319  1
  C  C97  1  0.50949328  0.79609731  0.47710595  1
  N  N98  1  0.88383697  0.17863725  0.96152824  1
  N  N99  1  0.38383625  0.32136177  0.53847368  1
  N  N100  1  0.11616317  0.82136279  0.03847054  1
  N  N101  1  0.61616510  0.67863906  0.46152802  1
  N  N102  1  0.18292351  0.14172483  0.01560377  1
  N  N103  1  0.68292166  0.35827371  0.48439428  1
  N  N104  1  0.81707605  0.85827482  0.98439536  1
  N  N105  1  0.31707860  0.64172664  0.51560805  1
  N  N106  1  0.62476475  0.29211397  0.88859403  1
  N  N107  1  0.12476701  0.20787869  0.61140774  1
  N  N108  1  0.37523467  0.70788722  0.11140619  1
  N  N109  1  0.87523242  0.79212204  0.38859154  1
  O  O110  1  0.05151077  0.91345581  0.86034726  1
  O  O111  1  0.55151693  0.58654494  0.63965257  1
  O  O112  1  0.94848973  0.08654270  0.13965194  1
  O  O113  1  0.44848506  0.41345330  0.36034854  1
  O  O114  1  0.02919913  0.98623019  0.66943589  1
  O  O115  1  0.52919990  0.51376539  0.83056513  1
  O  O116  1  0.97080169  0.01376977  0.33056294  1
  O  O117  1  0.47079883  0.48623519  0.16943639  1
  O  O118  1  0.92504964  0.42324692  0.62348000  1
  O  O119  1  0.42504981  0.07674386  0.87652365  1
  O  O120  1  0.07494818  0.57675118  0.37652378  1
  O  O121  1  0.57494788  0.92325825  0.12347291  1
  O  O122  1  0.05084561  0.69402365  0.67249213  1
  O  O123  1  0.55084909  0.80596830  0.82750851  1
  O  O124  1  0.94915073  0.30597632  0.32750458  1
  O  O125  1  0.44914815  0.19403260  0.17249220  1
  O  O126  1  0.29410453  0.85700806  0.71974310  1
  O  O127  1  0.79410466  0.64298187  0.78026052  1
  O  O128  1  0.70589418  0.14298871  0.28025694  1
  O  O129  1  0.20589534  0.35701976  0.21974122  1
  O  O130  1  0.05563918  0.51061751  0.80789261  1
  O  O131  1  0.55563470  0.98937698  0.69210915  1
  O  O132  1  0.94436394  0.48938887  0.19210889  1
  O  O133  1  0.44436476  0.01061880  0.30788828  1
