# generated using pymatgen
data_VCr2Fe2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35545006
_cell_length_b   9.70568703
_cell_length_c   13.66692002
_cell_angle_alpha   103.33504804
_cell_angle_beta   90.00001618
_cell_angle_gamma   90.00013002
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Fe2H32C12(NO2)6
_chemical_formula_sum   'V2 Cr4 Fe4 H64 C24 N12 O24'
_cell_volume   1207.51186682
_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  0.10442355  0.87360674  0.73471622  1
  Fe  Fe1  1  0.60442840  0.62638357  0.76528371  1
  Fe  Fe2  1  0.89557479  0.12639314  0.26528245  1
  Fe  Fe3  1  0.39556955  0.37361907  0.23471883  1
  Cr  Cr4  1  0.95737394  0.56472907  0.71698863  1
  Cr  Cr5  1  0.45737267  0.93526088  0.78301415  1
  Cr  Cr6  1  0.04262392  0.43527424  0.28301281  1
  Cr  Cr7  1  0.54262532  0.06473791  0.21698506  1
  V  V8  1  0.00000000  1.00000018  0.99999928  1
  V  V9  1  0.50000021  0.50000002  0.50000108  1
  H  H10  1  0.19734489  0.19350769  0.08893879  1
  H  H11  1  0.69733942  0.30648954  0.41105831  1
  H  H12  1  0.80265644  0.80649230  0.91106010  1
  H  H13  1  0.30266175  0.69351144  0.58894361  1
  H  H14  1  0.28036720  0.09721204  0.98741101  1
  H  H15  1  0.78036585  0.40278601  0.51258379  1
  H  H16  1  0.71963287  0.90278702  0.01258771  1
  H  H17  1  0.21963423  0.59721471  0.48741865  1
  H  H18  1  0.56440740  0.42520617  0.85543691  1
  H  H19  1  0.06440952  0.07478351  0.64456173  1
  H  H20  1  0.43559209  0.57479579  0.14456539  1
  H  H21  1  0.93558924  0.92521808  0.35543738  1
  H  H22  1  0.55122907  0.21076090  0.88237265  1
  H  H23  1  0.05122874  0.28923016  0.61762974  1
  H  H24  1  0.44877019  0.78923911  0.11762664  1
  H  H25  1  0.94877173  0.71077139  0.38237014  1
  H  H26  1  0.77927607  0.03099689  0.84780963  1
  H  H27  1  0.27927558  0.46899951  0.65219274  1
  H  H28  1  0.22072331  0.96900388  0.15218870  1
  H  H29  1  0.72072539  0.53099902  0.34780979  1
  H  H30  1  0.93061774  0.10691107  0.80404105  1
  H  H31  1  0.43061764  0.39308660  0.69596118  1
  H  H32  1  0.06938142  0.89308985  0.19595704  1
  H  H33  1  0.56938310  0.60690989  0.30404003  1
  H  H34  1  0.21874491  0.32765090  0.96506451  1
  H  H35  1  0.71874413  0.17234790  0.53493340  1
  H  H36  1  0.78125590  0.67234792  0.03493335  1
  H  H37  1  0.28125707  0.82765159  0.46506754  1
  H  H38  1  0.15182518  0.18121811  0.87435449  1
  H  H39  1  0.65182796  0.31878147  0.62564388  1
  H  H40  1  0.84817545  0.81878004  0.12564428  1
  H  H41  1  0.34817297  0.68121731  0.37435764  1
  H  H42  1  0.58043988  0.36234929  0.04376456  1
  H  H43  1  0.08044100  0.13764294  0.45623647  1
  H  H44  1  0.41956061  0.63764933  0.95623517  1
  H  H45  1  0.91955902  0.86235964  0.54376232  1
  H  H46  1  0.73740579  0.43001260  0.00117339  1
  H  H47  1  0.23740941  0.06998463  0.49882855  1
  H  H48  1  0.26259422  0.56998716  0.99882632  1
  H  H49  1  0.76258935  0.93001565  0.50116998  1
  H  H50  1  0.79282089  0.25611834  0.10406868  1
  H  H51  1  0.29281863  0.24388082  0.39593281  1
  H  H52  1  0.20718039  0.74387989  0.89593004  1
  H  H53  1  0.70718395  0.75612116  0.60406804  1
  H  H54  1  0.69148933  0.12436348  0.02190407  1
  H  H55  1  0.19148551  0.37563187  0.47809876  1
  H  H56  1  0.30851202  0.87563528  0.97809480  1
  H  H57  1  0.80851739  0.62437031  0.52190202  1
  H  H58  1  0.81000859  0.33403676  0.81715861  1
  H  H59  1  0.31001077  0.16596012  0.68284352  1
  H  H60  1  0.18999051  0.66596494  0.18284112  1
  H  H61  1  0.68998813  0.83403506  0.31715388  1
  H  H62  1  0.70645058  0.19231168  0.74649943  1
  H  H63  1  0.20645163  0.30768434  0.75350195  1
  H  H64  1  0.29354895  0.80769119  0.25349935  1
  H  H65  1  0.79354915  0.69230872  0.24649827  1
  H  H66  1  0.98563254  0.34955018  0.05670851  1
  H  H67  1  0.48562954  0.15044757  0.44329264  1
  H  H68  1  0.01436794  0.65044990  0.94328949  1
  H  H69  1  0.51437167  0.84955247  0.55670844  1
  H  H70  1  0.96525842  0.36734342  0.92978389  1
  H  H71  1  0.46525847  0.13265683  0.57021809  1
  H  H72  1  0.03474279  0.63265609  0.07021418  1
  H  H73  1  0.53474274  0.86734209  0.42978266  1
  C  C74  1  0.83921830  0.12996804  0.85490749  1
  C  C75  1  0.33921853  0.37002913  0.64509395  1
  C  C76  1  0.16078119  0.87003269  0.14509082  1
  C  C77  1  0.66078192  0.62996899  0.35490746  1
  C  C78  1  0.14318146  0.23877200  0.95319998  1
  C  C79  1  0.64318129  0.26122681  0.54679870  1
  C  C80  1  0.85681904  0.76122715  0.04679853  1
  C  C81  1  0.35681968  0.73877248  0.45320272  1
  C  C82  1  0.67277716  0.33348800  0.99370664  1
  C  C83  1  0.17277805  0.16650698  0.50629483  1
  C  C84  1  0.32722327  0.66651149  0.00629291  1
  C  C85  1  0.82722170  0.83349409  0.49370430  1
  C  C86  1  0.75811006  0.21846048  0.02626002  1
  C  C87  1  0.25810873  0.28153668  0.47374191  1
  C  C88  1  0.24189080  0.78153869  0.97373888  1
  C  C89  1  0.74189283  0.71846453  0.52625872  1
  C  C90  1  0.74692338  0.24014752  0.82180267  1
  C  C91  1  0.24692465  0.25984838  0.67819893  1
  C  C92  1  0.25307590  0.75985375  0.17819656  1
  C  C93  1  0.75307537  0.74014836  0.32180054  1
  C  C94  1  0.99246940  0.29365038  0.97726078  1
  C  C95  1  0.49246871  0.20634869  0.52274007  1
  C  C96  1  0.00753115  0.70634927  0.02273753  1
  C  C97  1  0.50753238  0.79365080  0.47726101  1
  N  N98  1  0.88588688  0.17546046  0.96147036  1
  N  N99  1  0.38588647  0.32453850  0.53853090  1
  N  N100  1  0.11411321  0.82453970  0.03852787  1
  N  N101  1  0.61411458  0.67546099  0.46147056  1
  N  N102  1  0.18310051  0.13856371  0.01561737  1
  N  N103  1  0.68309792  0.36143415  0.48437983  1
  N  N104  1  0.81690004  0.86143629  0.98438166  1
  N  N105  1  0.31690250  0.63856606  0.51562223  1
  N  N106  1  0.62702543  0.28934761  0.88912857  1
  N  N107  1  0.12702683  0.21064543  0.61087314  1
  N  N108  1  0.37297426  0.71065251  0.11087103  1
  N  N109  1  0.87297254  0.78935490  0.38912600  1
  O  O110  1  0.04696673  0.92610842  0.87248213  1
  O  O111  1  0.54697344  0.57388863  0.62751738  1
  O  O112  1  0.95303296  0.07389215  0.12751665  1
  O  O113  1  0.45302687  0.42611125  0.37248487  1
  O  O114  1  0.01604315  0.99112186  0.66501848  1
  O  O115  1  0.51604167  0.50886382  0.83497455  1
  O  O116  1  0.98395582  0.00887982  0.33498123  1
  O  O117  1  0.48395877  0.49114147  0.16503157  1
  O  O118  1  0.91121389  0.43049725  0.62406632  1
  O  O119  1  0.41121671  0.06949006  0.87593968  1
  O  O120  1  0.08878439  0.56950232  0.37593770  1
  O  O121  1  0.58877978  0.93051299  0.12405622  1
  O  O122  1  0.04686224  0.68696397  0.66661610  1
  O  O123  1  0.54686276  0.81302404  0.83338301  1
  O  O124  1  0.95313104  0.31303851  0.33338159  1
  O  O125  1  0.45313618  0.18697903  0.16662020  1
  O  O126  1  0.30667938  0.85575014  0.71958846  1
  O  O127  1  0.80668347  0.64424269  0.78041557  1
  O  O128  1  0.69331872  0.14424392  0.28041289  1
  O  O129  1  0.19331461  0.35575970  0.21958646  1
  O  O130  1  0.06226859  0.51246648  0.79685607  1
  O  O131  1  0.56226408  0.98752653  0.70314621  1
  O  O132  1  0.93773310  0.48754396  0.20314622  1
  O  O133  1  0.43773313  0.01246712  0.29685028  1
