# generated using pymatgen
data_Cr2Fe2NiH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36201098
_cell_length_b   9.71534248
_cell_length_c   13.67515524
_cell_angle_alpha   103.35289491
_cell_angle_beta   90.00001998
_cell_angle_gamma   90.00012789
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Fe2NiH32C12(NO2)6
_chemical_formula_sum   'Cr4 Fe4 Ni2 H64 C24 N12 O24'
_cell_volume   1210.20021347
_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  0.10024692  0.86950529  0.73678119  1
  Fe  Fe1  1  0.60025094  0.63048691  0.76321741  1
  Fe  Fe2  1  0.89975168  0.13049460  0.26321758  1
  Fe  Fe3  1  0.39974824  0.36951485  0.23678461  1
  Cr  Cr4  1  0.95534793  0.56453254  0.72064088  1
  Cr  Cr5  1  0.45534751  0.93545828  0.77936113  1
  Cr  Cr6  1  0.04465122  0.43546896  0.27935978  1
  Cr  Cr7  1  0.54465089  0.06454124  0.22063780  1
  Ni  Ni8  1  0.00000358  0.99999838  1.00000065  1
  Ni  Ni9  1  0.50000229  0.50000236  0.49999942  1
  H  H10  1  0.18615065  0.19238915  0.09027162  1
  H  H11  1  0.68614555  0.30761084  0.40972656  1
  H  H12  1  0.81385065  0.80761071  0.90972764  1
  H  H13  1  0.31385561  0.69238964  0.59027466  1
  H  H14  1  0.27928643  0.09948786  0.99210821  1
  H  H15  1  0.77928368  0.40051274  0.50788827  1
  H  H16  1  0.72071399  0.90051127  0.00789062  1
  H  H17  1  0.22071687  0.59948847  0.49211323  1
  H  H18  1  0.54915624  0.44587975  0.85880643  1
  H  H19  1  0.04915542  0.05410765  0.64118821  1
  H  H20  1  0.45084166  0.55412470  0.14119760  1
  H  H21  1  0.95084498  0.94589430  0.35881094  1
  H  H22  1  0.54886446  0.21783606  0.88364654  1
  H  H23  1  0.04886331  0.28215370  0.61635584  1
  H  H24  1  0.45113519  0.78216385  0.11635302  1
  H  H25  1  0.95113697  0.71784779  0.38364407  1
  H  H26  1  0.78250834  0.03145384  0.84957113  1
  H  H27  1  0.28250371  0.46854026  0.65043133  1
  H  H28  1  0.21749208  0.96854611  0.15042722  1
  H  H29  1  0.71749962  0.53145938  0.34957156  1
  H  H30  1  0.93186816  0.10899807  0.80566613  1
  H  H31  1  0.43186549  0.39099703  0.69433513  1
  H  H32  1  0.06813168  0.89100262  0.19433208  1
  H  H33  1  0.56813604  0.60899940  0.30566689  1
  H  H34  1  0.21671233  0.32918796  0.96537861  1
  H  H35  1  0.71671190  0.17081151  0.53461769  1
  H  H36  1  0.78328812  0.67081118  0.03462035  1
  H  H37  1  0.28328945  0.82918914  0.46538326  1
  H  H38  1  0.15272110  0.18118161  0.87511266  1
  H  H39  1  0.65272415  0.31881666  0.62488568  1
  H  H40  1  0.84727959  0.81881735  0.12488642  1
  H  H41  1  0.34727683  0.68118368  0.37511538  1
  H  H42  1  0.58523811  0.36404866  0.04880188  1
  H  H43  1  0.08523814  0.13594148  0.45119584  1
  H  H44  1  0.41476136  0.63594852  0.95119668  1
  H  H45  1  0.91476156  0.86406180  0.54880382  1
  H  H46  1  0.74129158  0.42932801  0.00372214  1
  H  H47  1  0.24129315  0.07066797  0.49627824  1
  H  H48  1  0.25870716  0.57067189  0.99627788  1
  H  H49  1  0.75870507  0.92933221  0.50372083  1
  H  H50  1  0.79935886  0.25388120  0.10370387  1
  H  H51  1  0.29935702  0.24612052  0.39629789  1
  H  H52  1  0.20064220  0.74611729  0.89629468  1
  H  H53  1  0.70064555  0.75388202  0.60370369  1
  H  H54  1  0.69592729  0.12390752  0.02262531  1
  H  H55  1  0.19592237  0.37608870  0.47737844  1
  H  H56  1  0.30407372  0.87609146  0.97737324  1
  H  H57  1  0.80407979  0.62391322  0.52262321  1
  H  H58  1  0.81050494  0.33089342  0.81449097  1
  H  H59  1  0.31050684  0.16910126  0.68551076  1
  H  H60  1  0.18949396  0.66910697  0.18550820  1
  H  H61  1  0.68949140  0.83089560  0.31448835  1
  H  H62  1  0.70527793  0.18837855  0.74859283  1
  H  H63  1  0.20527800  0.31161428  0.75140805  1
  H  H64  1  0.29472101  0.81162218  0.25140628  1
  H  H65  1  0.79472124  0.68838241  0.24859240  1
  H  H66  1  0.98566438  0.35135158  0.05567725  1
  H  H67  1  0.48566076  0.14864631  0.44432366  1
  H  H68  1  0.01433561  0.64864868  0.94432107  1
  H  H69  1  0.51434038  0.85135382  0.55567717  1
  H  H70  1  0.96921815  0.36753253  0.92807365  1
  H  H71  1  0.46921927  0.13246670  0.57192779  1
  H  H72  1  0.03078308  0.63246692  0.07192442  1
  H  H73  1  0.53078246  0.86753234  0.42807280  1
  C  C74  1  0.84081210  0.13094565  0.85636425  1
  C  C75  1  0.34080899  0.36904858  0.64363747  1
  C  C76  1  0.15918807  0.86905429  0.14363438  1
  C  C77  1  0.65919260  0.63095011  0.35636430  1
  C  C78  1  0.14317806  0.23852080  0.95376322  1
  C  C79  1  0.64317751  0.26147846  0.54623506  1
  C  C80  1  0.85682241  0.76147846  0.04623577  1
  C  C81  1  0.35682351  0.73852195  0.45376597  1
  C  C82  1  0.67531862  0.33371278  0.99596495  1
  C  C83  1  0.17531715  0.16628120  0.50403480  1
  C  C84  1  0.32468138  0.66628626  0.00403416  1
  C  C85  1  0.82468252  0.83372014  0.49596505  1
  C  C86  1  0.76229330  0.21790935  0.02666927  1
  C  C87  1  0.26229022  0.28208770  0.47333254  1
  C  C88  1  0.23770746  0.78208971  0.97332922  1
  C  C89  1  0.73771128  0.71791363  0.52666881  1
  C  C90  1  0.74623863  0.23964135  0.82305107  1
  C  C91  1  0.24623820  0.26035107  0.67694976  1
  C  C92  1  0.25376068  0.76035870  0.17694796  1
  C  C93  1  0.75376159  0.73964737  0.32305055  1
  C  C94  1  0.99279488  0.29412140  0.97664704  1
  C  C95  1  0.49279346  0.20587762  0.52335365  1
  C  C96  1  0.00720542  0.70587818  0.02335142  1
  C  C97  1  0.50720770  0.79412226  0.47664736  1
  N  N98  1  0.88725851  0.17752012  0.96124840  1
  N  N99  1  0.38725598  0.32247775  0.53875357  1
  N  N100  1  0.11274194  0.82247971  0.03875010  1
  N  N101  1  0.61274513  0.67752180  0.46124809  1
  N  N102  1  0.18113346  0.14042038  0.01596562  1
  N  N103  1  0.68113006  0.35957994  0.48403267  1
  N  N104  1  0.81886710  0.85957893  0.98403377  1
  N  N105  1  0.31887074  0.64042100  0.51596841  1
  N  N106  1  0.62872844  0.29194465  0.89157841  1
  N  N107  1  0.12872840  0.20804640  0.60842171  1
  N  N108  1  0.37127111  0.70805525  0.10842078  1
  N  N109  1  0.87127116  0.79195423  0.39157806  1
  O  O110  1  0.04999408  0.90532235  0.86665998  1
  O  O111  1  0.55000862  0.59468829  0.63333748  1
  O  O112  1  0.94999681  0.09468267  0.13333756  1
  O  O113  1  0.44998583  0.40530269  0.36666557  1
  O  O114  1  -0.00189586  0.97315107  0.65854022  1
  O  O115  1  0.49810646  0.52683206  0.84144835  1
  O  O116  1  1.00189667  0.02684982  0.34145800  1
  O  O117  1  0.50189149  0.47317431  0.15855817  1
  O  O118  1  0.90850719  0.42946839  0.62965970  1
  O  O119  1  0.40851057  0.07052024  0.87034505  1
  O  O120  1  0.09149160  0.57053039  0.37034301  1
  O  O121  1  0.59148692  0.92948181  0.12965183  1
  O  O122  1  0.05026663  0.67760516  0.66669860  1
  O  O123  1  0.55026792  0.82238524  0.83330146  1
  O  O124  1  0.94972872  0.32239574  0.33329920  1
  O  O125  1  0.44973087  0.17761689  0.16669953  1
  O  O126  1  0.30686527  0.85372411  0.71760024  1
  O  O127  1  0.80686878  0.64626840  0.78240363  1
  O  O128  1  0.69313292  0.14627375  0.28239945  1
  O  O129  1  0.19313003  0.35373192  0.21759781  1
  O  O130  1  0.05632479  0.50952579  0.80116768  1
  O  O131  1  0.55632239  0.99046889  0.69883476  1
  O  O132  1  0.94367784  0.49047955  0.19883301  1
  O  O133  1  0.44367609  0.00952763  0.30116258  1
