# generated using pymatgen
data_Cr2FeNi2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36172462
_cell_length_b   9.72091387
_cell_length_c   13.66724017
_cell_angle_alpha   103.41263370
_cell_angle_beta   90.00000787
_cell_angle_gamma   90.00012581
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeNi2H32C12(NO2)6
_chemical_formula_sum   'Cr4 Fe2 Ni4 H64 C24 N12 O24'
_cell_volume   1209.85619215
_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  0.09757605  0.85580881  0.73155613  1
  Cr  Cr1  1  0.59757985  0.64418659  0.76844365  1
  Cr  Cr2  1  0.90242192  0.14419005  0.26844359  1
  Cr  Cr3  1  0.40241832  0.35581616  0.23155738  1
  Ni  Ni4  1  0.94536051  0.54634886  0.73010013  1
  Ni  Ni5  1  0.44536007  0.95364466  0.76990057  1
  Ni  Ni6  1  0.05463588  0.45365306  0.26990110  1
  Ni  Ni7  1  0.55463553  0.04635395  0.23009777  1
  Fe  Fe8  1  -0.00000018  1.00000057  0.99999997  1
  Fe  Fe9  1  0.50000011  0.50000050  0.50000021  1
  H  H10  1  0.19262022  0.19122595  0.08636981  1
  H  H11  1  0.69261838  0.30877195  0.41362801  1
  H  H12  1  0.80737992  0.80877515  0.91363007  1
  H  H13  1  0.30738259  0.69122755  0.58637260  1
  H  H14  1  0.27887377  0.09864944  0.98312551  1
  H  H15  1  0.77887329  0.40135040  0.51687009  1
  H  H16  1  0.72112553  0.90134856  0.01687595  1
  H  H17  1  0.22112736  0.59865158  0.48312933  1
  H  H18  1  0.58099579  0.37809046  0.86563648  1
  H  H19  1  0.08099865  0.12190414  0.63436536  1
  H  H20  1  0.41900364  0.62191137  0.13436515  1
  H  H21  1  0.91900045  0.87809457  0.36563256  1
  H  H22  1  0.47241162  0.16441702  0.89641222  1
  H  H23  1  -0.02759106  0.33557501  0.60359193  1
  H  H24  1  0.52758705  0.83558522  0.10358363  1
  H  H25  1  1.02759208  0.66442477  0.39641120  1
  H  H26  1  0.76421929  0.03186975  0.85243428  1
  H  H27  1  0.26422008  0.46812694  0.64756875  1
  H  H28  1  0.23577853  0.96813227  0.14756508  1
  H  H29  1  0.73578196  0.53187072  0.35243418  1
  H  H30  1  0.91696530  0.09504807  0.79996456  1
  H  H31  1  0.41696649  0.40494953  0.70003803  1
  H  H32  1  0.08303380  0.90495299  0.20003530  1
  H  H33  1  0.58303615  0.59504589  0.29996290  1
  H  H34  1  0.20895801  0.33102317  0.96979792  1
  H  H35  1  0.70895695  0.16897432  0.53019915  1
  H  H36  1  0.79104311  0.66897604  0.03020051  1
  H  H37  1  0.29104572  0.83102657  0.46980233  1
  H  H38  1  0.16503106  0.18406831  0.87215304  1
  H  H39  1  0.66503620  0.31592946  0.62784558  1
  H  H40  1  0.83496920  0.81592989  0.12784757  1
  H  H41  1  0.33496431  0.68407188  0.37215457  1
  H  H42  1  0.58053513  0.36593067  0.04061351  1
  H  H43  1  0.08053680  0.13406559  0.45938841  1
  H  H44  1  0.41946467  0.63406775  0.95938702  1
  H  H45  1  0.91946309  0.86593823  0.54061073  1
  H  H46  1  0.73731409  0.44165438  0.00469025  1
  H  H47  1  0.23731694  0.05834357  0.49531146  1
  H  H48  1  0.26268482  0.55834621  0.99531138  1
  H  H49  1  0.76268151  0.94165663  0.50468622  1
  H  H50  1  0.79638406  0.26844763  0.10169922  1
  H  H51  1  0.29638297  0.23155269  0.39830307  1
  H  H52  1  0.20361798  0.73155219  0.89830053  1
  H  H53  1  0.70361903  0.76844853  0.60169738  1
  H  H54  1  0.69338516  0.13457496  0.02322880  1
  H  H55  1  0.19338405  0.36542372  0.47677521  1
  H  H56  1  0.30661699  0.86542476  0.97677127  1
  H  H57  1  0.80661918  0.63457829  0.52322515  1
  H  H58  1  0.80993325  0.31954531  0.79990822  1
  H  H59  1  0.30993562  0.18045063  0.70009361  1
  H  H60  1  0.19006774  0.68045927  0.20009466  1
  H  H61  1  0.69006664  0.81954122  0.29990169  1
  H  H62  1  0.68840635  0.18173621  0.74678190  1
  H  H63  1  0.18840817  0.31825916  0.75322000  1
  H  H64  1  0.31159622  0.81827025  0.25321738  1
  H  H65  1  0.81159785  0.68173215  0.24678074  1
  H  H66  1  0.96922377  0.42234643  0.10271880  1
  H  H67  1  0.46922418  0.07765882  0.39728063  1
  H  H68  1  0.03077158  0.57766132  0.89728451  1
  H  H69  1  0.53077103  0.92233465  0.60271589  1
  H  H70  1  0.96745218  0.37535163  0.92964311  1
  H  H71  1  0.46745370  0.12464729  0.57035785  1
  H  H72  1  0.03255118  0.62464962  0.07035641  1
  H  H73  1  0.53254871  0.87535034  0.42964066  1
  C  C74  1  0.82807857  0.12621136  0.85230165  1
  C  C75  1  0.32807977  0.37378573  0.64770051  1
  C  C76  1  0.17192114  0.87378991  0.14769788  1
  C  C77  1  0.67192316  0.62621127  0.35230051  1
  C  C78  1  0.14090727  0.23611133  0.95110735  1
  C  C79  1  0.64090880  0.26388737  0.54889146  1
  C  C80  1  0.85909368  0.76388765  0.04889224  1
  C  C81  1  0.35909276  0.73611323  0.45110887  1
  C  C82  1  0.67460103  0.34252300  0.99173538  1
  C  C83  1  0.17460307  0.15747393  0.50826684  1
  C  C84  1  0.32539898  0.65747707  0.00826557  1
  C  C85  1  0.82539735  0.84252697  0.49173220  1
  C  C86  1  0.75903677  0.22818381  0.02470020  1
  C  C87  1  0.25903674  0.27181538  0.47530253  1
  C  C88  1  0.24096462  0.77181647  0.97529957  1
  C  C89  1  0.74096573  0.72818579  0.52469798  1
  C  C90  1  0.73984614  0.23661481  0.81713931  1
  C  C91  1  0.23984842  0.26338120  0.68286282  1
  C  C92  1  0.26015484  0.76338828  0.18286157  1
  C  C93  1  0.76015439  0.73661346  0.31713577  1
  C  C94  1  0.99094519  0.28117970  0.96019405  1
  C  C95  1  0.49094626  0.21881956  0.53980709  1
  C  C96  1  0.00905615  0.71881927  0.03980446  1
  C  C97  1  0.50905655  0.78118016  0.46019251  1
  N  N98  1  0.88259752  0.17982399  0.95687987  1
  N  N99  1  0.38259820  0.32017518  0.54312217  1
  N  N100  1  0.11740310  0.82017686  0.04311918  1
  N  N101  1  0.61740412  0.67982448  0.45687839  1
  N  N102  1  0.17868312  0.13602992  0.01308863  1
  N  N103  1  0.67868322  0.36396861  0.48690943  1
  N  N104  1  0.82131698  0.86396986  0.98691147  1
  N  N105  1  0.32131800  0.63603181  0.51309066  1
  N  N106  1  0.62841727  0.29526973  0.88840779  1
  N  N107  1  0.12841935  0.20472573  0.61159425  1
  N  N108  1  0.37158223  0.70473128  0.11159270  1
  N  N109  1  0.87158107  0.79527388  0.38840506  1
  O  O110  1  0.05660334  0.90219997  0.85545973  1
  O  O111  1  0.55660976  0.59779756  0.64453924  1
  O  O112  1  0.94339500  0.09779887  0.14453992  1
  O  O113  1  0.44338940  0.40220359  0.35546163  1
  O  O114  1  0.02325583  0.96784418  0.67326022  1
  O  O115  1  0.52325693  0.53214926  0.82673739  1
  O  O116  1  0.97674701  0.03215802  0.32674045  1
  O  O117  1  0.47674252  0.46785272  0.17326383  1
  O  O118  1  0.89551292  0.40727510  0.61413776  1
  O  O119  1  0.39551590  0.09271553  0.88586645  1
  O  O120  1  0.10448560  0.59272208  0.38586597  1
  O  O121  1  0.60448051  0.90728920  0.11412870  1
  O  O122  1  0.03817641  0.69285475  0.67766355  1
  O  O123  1  0.53818007  0.80713930  0.82233617  1
  O  O124  1  0.96181682  0.30714570  0.32233499  1
  O  O125  1  0.46181785  0.19286317  0.17766458  1
  O  O126  1  0.27510306  0.84952734  0.71132518  1
  O  O127  1  0.77510598  0.65046732  0.78867773  1
  O  O128  1  0.72489474  0.15046536  0.28867548  1
  O  O129  1  0.22489197  0.34953683  0.21132324  1
  O  O130  1  0.03624142  0.49477372  0.84065044  1
  O  O131  1  0.53623854  1.00522250  0.65935015  1
  O  O132  1  0.96375099  0.50523267  0.15935300  1
  O  O133  1  0.46375216  -0.00522680  0.34064575  1
