# generated using pymatgen
data_CrFe2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33180704
_cell_length_b   9.69324773
_cell_length_c   13.59595471
_cell_angle_alpha   103.75644680
_cell_angle_beta   89.99999436
_cell_angle_gamma   90.00013620
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2Ni2H32C12(NO2)6
_chemical_formula_sum   'Cr2 Fe4 Ni4 H64 C24 N12 O24'
_cell_volume   1194.55186305
_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  0.08861148  0.83879419  0.73097884  1
  Fe  Fe1  1  0.58860551  0.66121039  0.76902249  1
  Fe  Fe2  1  0.91140412  0.16120901  0.26899855  1
  Fe  Fe3  1  0.41140076  0.33880069  0.23100037  1
  Ni  Ni4  1  0.92748967  0.54660540  0.73386099  1
  Ni  Ni5  1  0.42748810  0.95340147  0.76613667  1
  Ni  Ni6  1  0.07252593  0.45341373  0.26613302  1
  Ni  Ni7  1  0.57252953  0.04659647  0.23386371  1
  Cr  Cr8  1  0.00004751  0.99992712  1.00001320  1
  Cr  Cr9  1  0.50004851  0.50006702  0.49998846  1
  H  H10  1  0.18733956  0.20663199  0.10110930  1
  H  H11  1  0.68734216  0.29336955  0.39889448  1
  H  H12  1  0.81271541  0.79326652  0.89891082  1
  H  H13  1  0.31272036  0.70673303  0.60108886  1
  H  H14  1  0.26273272  0.11723516  0.99013270  1
  H  H15  1  0.76272705  0.38276259  0.50987750  1
  H  H16  1  0.73737325  0.88271884  0.00990171  1
  H  H17  1  0.23737038  0.61728286  0.49010187  1
  H  H18  1  0.53297204  0.46645208  0.87147999  1
  H  H19  1  0.03297914  0.03354831  0.62852193  1
  H  H20  1  0.46697552  0.53357660  0.12854321  1
  H  H21  1  0.96696920  0.96642873  0.37145806  1
  H  H22  1  0.51139133  0.23485227  0.89756688  1
  H  H23  1  0.01139660  0.26515091  0.60243365  1
  H  H24  1  0.48857236  0.76514643  0.10242921  1
  H  H25  1  0.98857594  0.73486720  0.39757165  1
  H  H26  1  0.72579539  0.02160320  0.85940895  1
  H  H27  1  0.22580721  0.47839515  0.64059137  1
  H  H28  1  0.27417939  0.97845383  0.14056291  1
  H  H29  1  0.77419148  0.52155163  0.35943916  1
  H  H30  1  0.87391297  0.07133700  0.79320987  1
  H  H31  1  0.37392322  0.42865766  0.70678985  1
  H  H32  1  0.12607949  0.92874795  0.20679096  1
  H  H33  1  0.62608682  0.57125249  0.29321269  1
  H  H34  1  0.19365082  0.33657833  0.96758220  1
  H  H35  1  0.69364866  0.16341602  0.53242431  1
  H  H36  1  0.80637870  0.66331960  0.03247442  1
  H  H37  1  0.30638386  0.83667378  0.46752171  1
  H  H38  1  0.29067000  0.14882020  0.84161902  1
  H  H39  1  0.79071873  0.35114739  0.65838566  1
  H  H40  1  0.70920711  0.85106161  0.15842408  1
  H  H41  1  0.20923637  0.64892596  0.34157295  1
  H  H42  1  0.57878063  0.39372882  0.07326137  1
  H  H43  1  0.07877854  0.10627442  0.42673257  1
  H  H44  1  0.42117512  0.60629159  0.92675421  1
  H  H45  1  0.92117837  0.89371151  0.57324900  1
  H  H46  1  0.73825437  0.43581937  -0.00345286  1
  H  H47  1  0.23825504  0.06418258  0.50344759  1
  H  H48  1  0.26168088  0.56420811  1.00343345  1
  H  H49  1  0.76168416  0.93579593  0.49657438  1
  H  H50  1  0.80905063  0.27284788  0.10051631  1
  H  H51  1  0.30905065  0.22715554  0.39948099  1
  H  H52  1  0.19091890  0.72716972  0.89946385  1
  H  H53  1  0.69092817  0.77282239  0.60053877  1
  H  H54  1  0.69021405  0.13978478  0.03617280  1
  H  H55  1  0.19022196  0.36022248  0.46382588  1
  H  H56  1  0.30976602  0.86021656  0.96377724  1
  H  H57  1  0.80977708  0.63978169  0.53622022  1
  H  H58  1  0.77590245  0.30673279  0.80357002  1
  H  H59  1  0.27590409  0.19326299  0.69643068  1
  H  H60  1  0.22405068  0.69336474  0.19645166  1
  H  H61  1  0.72404768  0.80664264  0.30355527  1
  H  H62  1  0.64522030  0.17351618  0.75277072  1
  H  H63  1  0.14522737  0.32648513  0.74722652  1
  H  H64  1  0.35477720  0.82656497  0.24720816  1
  H  H65  1  0.85477402  0.67344817  0.25279321  1
  H  H66  1  0.96778527  0.45964517  0.10528437  1
  H  H67  1  0.46778020  0.04034258  0.39471003  1
  H  H68  1  0.03211928  0.54036710  0.89476507  1
  H  H69  1  0.53215480  0.95963112  0.60523821  1
  H  H70  1  0.96108726  0.34567127  0.89466991  1
  H  H71  1  0.46108182  0.15431276  0.60532591  1
  H  H72  1  0.03904677  0.65424413  0.10531375  1
  H  H73  1  0.53905489  0.84574885  0.39468494  1
  C  C74  1  0.79407748  0.11111083  0.85214244  1
  C  C75  1  0.29408623  0.38888617  0.64785746  1
  C  C76  1  0.20590145  0.88895065  0.14784842  1
  C  C77  1  0.70590914  0.61105212  0.35215468  1
  C  C78  1  0.11484683  0.25616143  0.97468917  1
  C  C79  1  0.61484478  0.24382948  0.52531214  1
  C  C80  1  0.88518328  0.74372105  0.02534281  1
  C  C81  1  0.38518718  0.75627162  0.47465402  1
  C  C82  1  0.67108411  0.34249968  0.99623100  1
  C  C83  1  0.17108613  0.15750340  0.50376558  1
  C  C84  1  0.32885890  0.65752737  0.00376724  1
  C  C85  1  0.82886418  0.84247706  0.49623707  1
  C  C86  1  0.75813697  0.22829888  0.02739338  1
  C  C87  1  0.25813994  0.27170451  0.47260472  1
  C  C88  1  0.24184072  0.77171723  0.97258377  1
  C  C89  1  0.74184994  0.72828182  0.52741808  1
  C  C90  1  0.70472416  0.22562849  0.82131999  1
  C  C91  1  0.20473098  0.27436901  0.67867822  1
  C  C92  1  0.29524415  0.77443955  0.17867723  1
  C  C93  1  0.79524478  0.72556893  0.32132653  1
  C  C94  1  0.98063461  0.26449397  0.94023939  1
  C  C95  1  0.48063325  0.23549578  0.55975999  1
  C  C96  1  0.01940878  0.73541725  0.05975708  1
  C  C97  1  0.51941575  0.76457979  0.44024479  1
  N  N98  1  0.86967103  0.16788939  0.94981199  1
  N  N99  1  0.36967647  0.33210618  0.55018683  1
  N  N100  1  0.13031168  0.83210814  0.05017959  1
  N  N101  1  0.63031986  0.66789128  0.44982317  1
  N  N102  1  0.16536119  0.15299090  0.02421496  1
  N  N103  1  0.66535899  0.34700345  0.47578959  1
  N  N104  1  0.83471522  0.84688827  0.97581387  1
  N  N105  1  0.33471565  0.65310837  0.52418587  1
  N  N106  1  0.60349129  0.29797670  0.89932093  1
  N  N107  1  0.10349653  0.20202443  0.60067647  1
  N  N108  1  0.39644888  0.70204910  0.10067327  1
  N  N109  1  0.89645103  0.79796072  0.39932910  1
  O  O110  1  0.05452410  0.92620402  0.87194186  1
  O  O111  1  0.55451634  0.57379691  0.62805997  1
  O  O112  1  0.94558776  0.07364281  0.12807386  1
  O  O113  1  0.44557989  0.42635479  0.37192790  1
  O  O114  1  -0.01422817  0.94739888  0.64218299  1
  O  O115  1  0.48576922  0.55260521  0.85782134  1
  O  O116  1  1.01418128  0.05257796  0.35779873  1
  O  O117  1  0.51418593  0.44742544  0.14219882  1
  O  O118  1  0.87341065  0.38300478  0.62617268  1
  O  O119  1  0.37339226  0.11699703  0.87381850  1
  O  O120  1  0.12657470  0.61703886  0.37379937  1
  O  O121  1  0.62656200  0.88296890  0.12619103  1
  O  O122  1  0.05300792  0.64987322  0.67587545  1
  O  O123  1  0.55300268  0.85013282  0.82412438  1
  O  O124  1  0.94698437  0.35014009  0.32410491  1
  O  O125  1  0.44698855  0.14987265  0.17589323  1
  O  O126  1  0.28052513  0.83545955  0.70127718  1
  O  O127  1  0.78052149  0.66454432  0.79871802  1
  O  O128  1  0.71948380  0.16457418  0.29866958  1
  O  O129  1  0.21947964  0.33543199  0.20132845  1
  O  O130  1  0.00445467  0.46008409  0.84018325  1
  O  O131  1  0.50446555  1.03991534  0.65981170  1
  O  O132  1  0.99557962  0.53995192  0.15981159  1
  O  O133  1  0.49559035  -0.03995461  0.34018133  1
