# generated using pymatgen
data_CrFe2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35336057
_cell_length_b   9.71058615
_cell_length_c   13.63697232
_cell_angle_alpha   103.59002676
_cell_angle_beta   89.99999526
_cell_angle_gamma   90.00014670
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2Ni2H32C12(NO2)6
_chemical_formula_sum   'Cr2 Fe4 Ni4 H64 C24 N12 O24'
_cell_volume   1203.92158846
_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  0.10237998  0.83599684  0.73814157  1
  Ni  Ni1  1  0.60245917  0.66438963  0.76196472  1
  Ni  Ni2  1  0.89753912  0.16439395  0.26196468  1
  Ni  Ni3  1  0.39761717  0.33599829  0.23814154  1
  Fe  Fe4  1  0.93595325  0.55034695  0.72842073  1
  Fe  Fe5  1  0.43601100  0.94981813  0.77176197  1
  Fe  Fe6  1  0.06398892  0.44982008  0.27176299  1
  Fe  Fe7  1  0.56404499  0.05034793  0.22842209  1
  Cr  Cr8  1  -0.00003523  0.99982350  0.99999190  1
  Cr  Cr9  1  0.50003808  0.49982541  0.49999161  1
  H  H10  1  0.18125283  0.20813882  0.09442824  1
  H  H11  1  0.68126050  0.29171963  0.40557476  1
  H  H12  1  0.81873810  0.79172035  0.90557783  1
  H  H13  1  0.31875050  0.70814357  0.59442691  1
  H  H14  1  0.27429113  0.10349321  1.00019535  1
  H  H15  1  0.77416950  0.39641092  0.49989762  1
  H  H16  1  0.72583203  0.89641056  -0.00009669  1
  H  H17  1  0.22571345  0.60349346  0.50019575  1
  H  H18  1  0.56410979  0.44032210  0.85903141  1
  H  H19  1  0.06385436  0.05990667  0.64088156  1
  H  H20  1  0.43614065  0.55991285  0.14088582  1
  H  H21  1  0.93588512  0.94032483  0.35902456  1
  H  H22  1  0.45587371  0.18538751  0.88833163  1
  H  H23  1  -0.04429471  0.31484675  0.61183383  1
  H  H24  1  0.54428990  0.81484859  0.11183544  1
  H  H25  1  1.04412219  0.68538791  0.38833271  1
  H  H26  1  0.73669765  0.02448271  0.85727745  1
  H  H27  1  0.23683764  0.47553817  0.64263754  1
  H  H28  1  0.26316128  0.97554199  0.14263331  1
  H  H29  1  0.76330648  0.52448285  0.35728430  1
  H  H30  1  0.89081047  0.06400752  0.79331496  1
  H  H31  1  0.39084439  0.43589507  0.70663704  1
  H  H32  1  0.10915331  0.93590122  0.20663388  1
  H  H33  1  0.60919122  0.56399204  0.29331729  1
  H  H34  1  0.20122689  0.32674507  0.96561899  1
  H  H35  1  0.70111170  0.17254412  0.53383082  1
  H  H36  1  0.79889017  0.67254373  0.03383479  1
  H  H37  1  0.29877416  0.82674408  0.46561391  1
  H  H38  1  0.17270347  0.16880903  0.87329349  1
  H  H39  1  0.67328063  0.33020436  0.62658166  1
  H  H40  1  0.82672876  0.83020262  0.12658478  1
  H  H41  1  0.32729668  0.66880546  0.37329150  1
  H  H42  1  0.54389867  0.42292336  0.10723248  1
  H  H43  1  0.04394508  0.07709770  0.39268234  1
  H  H44  1  0.45605275  0.57709806  0.89268224  1
  H  H45  1  0.95609198  0.92291860  0.60723540  1
  H  H46  1  0.70980114  0.45510318  0.03135196  1
  H  H47  1  0.21002153  0.04495454  0.46873791  1
  H  H48  1  0.28999024  0.54495502  0.96874147  1
  H  H49  1  0.79020935  0.95510650  0.53134873  1
  H  H50  1  0.80602578  0.26932455  0.09743534  1
  H  H51  1  0.30624570  0.23038701  0.40248552  1
  H  H52  1  0.19376127  0.73038588  0.90248491  1
  H  H53  1  0.69397491  0.76933423  0.59743321  1
  H  H54  1  0.68772620  0.14415070  0.02552944  1
  H  H55  1  0.18807095  0.35589153  0.47424267  1
  H  H56  1  0.31193275  0.85589289  0.97424214  1
  H  H57  1  0.81227451  0.64415790  0.52552975  1
  H  H58  1  0.80527617  0.28883030  0.77916357  1
  H  H59  1  0.30507313  0.21103556  0.72065921  1
  H  H60  1  0.19492485  0.71104721  0.22066319  1
  H  H61  1  0.69471959  0.78881547  0.27915059  1
  H  H62  1  0.65719787  0.17297727  0.75282764  1
  H  H63  1  0.15721924  0.32717226  0.74716548  1
  H  H64  1  0.34278062  0.82718306  0.24716654  1
  H  H65  1  0.84280307  0.67296996  0.25282717  1
  H  H66  1  0.97490518  0.43586793  0.10650313  1
  H  H67  1  0.47478378  0.06391416  0.39356011  1
  H  H68  1  0.02521506  0.56391285  0.89355724  1
  H  H69  1  0.52509160  0.93586748  0.60650068  1
  H  H70  1  0.96184998  0.35973675  0.91783392  1
  H  H71  1  0.46171378  0.14014756  0.58228755  1
  H  H72  1  0.03829136  0.64014150  0.08227987  1
  H  H73  1  0.53815107  0.85973393  0.41782459  1
  C  C74  1  0.80983264  0.10957230  0.84943163  1
  C  C75  1  0.30989128  0.39037086  0.65049217  1
  C  C76  1  0.19010805  0.89037566  0.15049040  1
  C  C77  1  0.69016877  0.60956623  0.34943202  1
  C  C78  1  0.13847222  0.22813294  0.94892068  1
  C  C79  1  0.63857114  0.27128721  0.55096371  1
  C  C80  1  0.86143272  0.77128567  0.05096532  1
  C  C81  1  0.36152964  0.72813272  0.44891737  1
  C  C82  1  0.69632988  0.34714748  0.98427597  1
  C  C83  1  0.19627128  0.15298797  0.51571301  1
  C  C84  1  0.30373169  0.65298909  0.01571493  1
  C  C85  1  0.80366768  0.84715213  0.48427196  1
  C  C86  1  0.76178477  0.23064293  0.02205202  1
  C  C87  1  0.26195690  0.26931743  0.47783252  1
  C  C88  1  0.23804811  0.76931722  0.97783251  1
  C  C89  1  0.73821487  0.73064841  0.52204974  1
  C  C90  1  0.72996754  0.22537855  0.81341379  1
  C  C91  1  0.22984930  0.27467582  0.68650020  1
  C  C92  1  0.27014975  0.77468475  0.18650252  1
  C  C93  1  0.77002705  0.72537165  0.31340797  1
  C  C94  1  0.98737552  0.26529066  0.94741741  1
  C  C95  1  0.48742597  0.23442371  0.55256258  1
  C  C96  1  0.01257765  0.73442135  0.05255971  1
  C  C97  1  0.51262598  0.76529036  0.44741138  1
  N  N98  1  0.87906961  0.16502814  0.95040869  1
  N  N99  1  0.37924899  0.33485800  0.54953736  1
  N  N100  1  0.12075375  0.83485675  0.04953567  1
  N  N101  1  0.62093057  0.66502978  0.45040750  1
  N  N102  1  0.17310424  0.14136507  0.02086186  1
  N  N103  1  0.67302595  0.35843679  0.47920955  1
  N  N104  1  0.82697450  0.85843629  0.97921238  1
  N  N105  1  0.32689985  0.64136796  0.52086141  1
  N  N106  1  0.64950857  0.32336248  0.89262626  1
  N  N107  1  0.14922038  0.17689417  0.60727320  1
  N  N108  1  0.35077930  0.67690073  0.10727727  1
  N  N109  1  0.85048159  0.82336579  0.39261807  1
  O  O110  1  0.05417320  0.92801396  0.87623058  1
  O  O111  1  0.55466088  0.57393489  0.62407250  1
  O  O112  1  0.94533823  0.07393242  0.12407198  1
  O  O113  1  0.44582133  0.42802182  0.37623138  1
  O  O114  1  0.00580532  0.98097595  0.66545783  1
  O  O115  1  0.50589727  0.51912899  0.83446499  1
  O  O116  1  0.99410022  0.01913289  0.33446261  1
  O  O117  1  0.49418909  0.48097904  0.16545815  1
  O  O118  1  0.87869265  0.38414370  0.63039815  1
  O  O119  1  0.37896975  0.11599143  0.86977481  1
  O  O120  1  0.12102795  0.61599560  0.36977529  1
  O  O121  1  0.62130353  0.88414318  0.13040299  1
  O  O122  1  0.05057957  0.65606021  0.66466430  1
  O  O123  1  0.55064590  0.84424780  0.83570525  1
  O  O124  1  0.94935270  0.34425113  0.33570623  1
  O  O125  1  0.44942085  0.15606195  0.16466538  1
  O  O126  1  0.29561312  0.83300921  0.70139499  1
  O  O127  1  0.79568335  0.66715566  0.79897262  1
  O  O128  1  0.70431360  0.16716024  0.29897217  1
  O  O129  1  0.20438217  0.33300408  0.20139676  1
  O  O130  1  0.03131881  0.48374940  0.83506987  1
  O  O131  1  0.53132770  1.01604398  0.66497311  1
  O  O132  1  0.96867346  0.51604785  0.16497371  1
  O  O133  1  0.46867642  -0.01624575  0.33507082  1
