# generated using pymatgen
data_CrCo4H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35222598
_cell_length_b   9.70288842
_cell_length_c   13.65463563
_cell_angle_alpha   103.40292036
_cell_angle_beta   90.00001209
_cell_angle_gamma   90.00013880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo4H32C12(NO2)6
_chemical_formula_sum   'Cr2 Co8 H64 C24 N12 O24'
_cell_volume   1205.32361058
_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
  Co  Co0  1  0.10090672  0.86722205  0.73711056  1
  Co  Co1  1  0.60091020  0.63276900  0.76288796  1
  Co  Co2  1  0.89909112  0.13277774  0.26288829  1
  Co  Co3  1  0.39908820  0.36723372  0.23711466  1
  Co  Co4  1  0.95117054  0.56502304  0.72687260  1
  Co  Co5  1  0.45117035  0.93496735  0.77312953  1
  Co  Co6  1  0.04882911  0.43497830  0.27312920  1
  Co  Co7  1  0.54882770  0.06503299  0.22686827  1
  Cr  Cr8  1  0.00000003  0.99999962  0.99999930  1
  Cr  Cr9  1  0.50000049  0.50000076  0.50000115  1
  H  H10  1  0.19504542  0.19761667  0.08983099  1
  H  H11  1  0.69504277  0.30238228  0.41016657  1
  H  H12  1  0.80495462  0.80238302  0.91016809  1
  H  H13  1  0.30495964  0.69761984  0.58983610  1
  H  H14  1  0.27670340  0.09847347  0.98821939  1
  H  H15  1  0.77670383  0.40152499  0.51177698  1
  H  H16  1  0.72329725  0.90152613  0.01178023  1
  H  H17  1  0.22329762  0.59847624  0.48822588  1
  H  H18  1  0.55259519  0.44368113  0.85060827  1
  H  H19  1  0.05259622  0.05630947  0.64938917  1
  H  H20  1  0.44740406  0.55632173  0.14939448  1
  H  H21  1  0.94740327  0.94369171  0.35061002  1
  H  H22  1  0.54525782  0.21287240  0.88434244  1
  H  H23  1  0.04525666  0.28712015  0.61566035  1
  H  H24  1  0.45474139  0.78712781  0.11565547  1
  H  H25  1  0.95474315  0.71287998  0.38434127  1
  H  H26  1  0.77690917  0.03040742  0.85170114  1
  H  H27  1  0.27690821  0.46958857  0.64829916  1
  H  H28  1  0.22308980  0.96959291  0.14829703  1
  H  H29  1  0.72309335  0.53041000  0.35170374  1
  H  H30  1  0.92831464  0.10370575  0.80531696  1
  H  H31  1  0.42831540  0.39629260  0.69468454  1
  H  H32  1  0.07168503  0.89629454  0.19468125  1
  H  H33  1  0.57168539  0.60370375  0.30531681  1
  H  H34  1  0.21560816  0.33027326  0.96586998  1
  H  H35  1  0.71560930  0.16972670  0.53412885  1
  H  H36  1  0.78439201  0.66972566  0.03412841  1
  H  H37  1  0.28439123  0.83027285  0.46587175  1
  H  H38  1  0.15046565  0.18346090  0.87478044  1
  H  H39  1  0.65046864  0.31653953  0.62521797  1
  H  H40  1  0.84953479  0.81653740  0.12521865  1
  H  H41  1  0.34953201  0.68345950  0.37478311  1
  H  H42  1  0.58306453  0.36396496  0.04796564  1
  H  H43  1  0.08306659  0.13602772  0.45203177  1
  H  H44  1  0.41693427  0.63603206  0.95203337  1
  H  H45  1  0.91693310  0.86397529  0.54796688  1
  H  H46  1  0.73845783  0.43036090  0.00240488  1
  H  H47  1  0.23845904  0.06963544  0.49759616  1
  H  H48  1  0.26154151  0.56963840  0.99759558  1
  H  H49  1  0.76153984  0.93036562  0.50240207  1
  H  H50  1  0.79513824  0.25991346  0.10576914  1
  H  H51  1  0.29513648  0.24008681  0.39423277  1
  H  H52  1  0.20486235  0.74008481  0.89423003  1
  H  H53  1  0.70486515  0.75991509  0.60576769  1
  H  H54  1  0.69232583  0.12694609  0.02564472  1
  H  H55  1  0.19232521  0.37305195  0.47435993  1
  H  H56  1  0.30767484  0.87305263  0.97435454  1
  H  H57  1  0.80767666  0.62694991  0.52564004  1
  H  H58  1  0.80523648  0.32633328  0.81070286  1
  H  H59  1  0.30523829  0.17366344  0.68929804  1
  H  H60  1  0.19476328  0.67366811  0.18929705  1
  H  H61  1  0.69476156  0.82633225  0.31069962  1
  H  H62  1  0.69817063  0.18105370  0.74916420  1
  H  H63  1  0.19817094  0.31894229  0.75083640  1
  H  H64  1  0.30182939  0.81894853  0.25083483  1
  H  H65  1  0.80183053  0.68105280  0.24916371  1
  H  H66  1  0.98308338  0.35788034  0.05638498  1
  H  H67  1  0.48308307  0.14211955  0.44361542  1
  H  H68  1  0.01691676  0.64211886  0.94361393  1
  H  H69  1  0.51691749  0.85788113  0.55638472  1
  H  H70  1  0.96696914  0.36620108  0.92564018  1
  H  H71  1  0.46697191  0.13379602  0.57436005  1
  H  H72  1  0.03303112  0.63379860  0.07435911  1
  H  H73  1  0.53302828  0.86620344  0.42563974  1
  C  C74  1  0.83742688  0.12862057  0.85680416  1
  C  C75  1  0.33742731  0.37137679  0.64319732  1
  C  C76  1  0.16257277  0.87137982  0.14319437  1
  C  C77  1  0.66257368  0.62862142  0.35680386  1
  C  C78  1  0.14104563  0.24034585  0.95372041  1
  C  C79  1  0.64104662  0.25965365  0.54627867  1
  C  C80  1  0.85895454  0.75965318  0.04627862  1
  C  C81  1  0.35895404  0.74034618  0.45372249  1
  C  C82  1  0.67281006  0.33444122  0.99493508  1
  C  C83  1  0.17281107  0.16555465  0.50506597  1
  C  C84  1  0.32718965  0.66555759  0.00506460  1
  C  C85  1  0.82718813  0.83444678  0.49493288  1
  C  C86  1  0.75941679  0.22029622  0.02833818  1
  C  C87  1  0.25941681  0.27970135  0.47166393  1
  C  C88  1  0.24058338  0.77970278  0.97166115  1
  C  C89  1  0.74058405  0.72030035  0.52833638  1
  C  C90  1  0.74171389  0.23603343  0.82244987  1
  C  C91  1  0.24171499  0.26396228  0.67755101  1
  C  C92  1  0.25828586  0.76396732  0.17754921  1
  C  C93  1  0.75828565  0.73603457  0.32244837  1
  C  C94  1  0.99086345  0.29669638  0.97724037  1
  C  C95  1  0.49086416  0.20330203  0.52275979  1
  C  C96  1  0.00913666  0.70330280  0.02275845  1
  C  C97  1  0.50913639  0.79669793  0.47724029  1
  N  N98  1  0.88566186  0.17768525  0.96267566  1
  N  N99  1  0.38566227  0.32231255  0.53732623  1
  N  N100  1  0.11433788  0.82231422  0.03732313  1
  N  N101  1  0.61433877  0.67768771  0.46267463  1
  N  N102  1  0.18016406  0.14134441  0.01642996  1
  N  N103  1  0.68016347  0.35865428  0.48356798  1
  N  N104  1  0.81983651  0.85865517  0.98356946  1
  N  N105  1  0.31983734  0.64134575  0.51643305  1
  N  N106  1  0.62481212  0.28909508  0.89121563  1
  N  N107  1  0.12481303  0.21089981  0.60878507  1
  N  N108  1  0.37518819  0.71090521  0.10878401  1
  N  N109  1  0.87518693  0.78910042  0.39121397  1
  O  O110  1  0.05320917  0.92969274  0.87216647  1
  O  O111  1  0.55321642  0.57030798  0.62783260  1
  O  O112  1  0.94679078  0.07030641  0.12783227  1
  O  O113  1  0.44678246  0.42969100  0.37217024  1
  O  O114  1  -0.00339579  0.98047741  0.67004864  1
  O  O115  1  0.49660240  0.51950597  0.82994088  1
  O  O116  1  1.00339463  0.01952522  0.32995174  1
  O  O117  1  0.50339807  0.48050149  0.17006623  1
  O  O118  1  0.91642506  0.42810525  0.63214227  1
  O  O119  1  0.41642612  0.07188118  0.86786333  1
  O  O120  1  0.08357413  0.57189087  0.36786337  1
  O  O121  1  0.58357018  0.92812289  0.13213150  1
  O  O122  1  0.04581638  0.68588911  0.67635367  1
  O  O123  1  0.54582071  0.81410067  0.82364485  1
  O  O124  1  0.95417803  0.31411157  0.32364412  1
  O  O125  1  0.45417742  0.18590290  0.17635637  1
  O  O126  1  0.29485111  0.85101032  0.71708264  1
  O  O127  1  0.79485288  0.64897972  0.78292056  1
  O  O128  1  0.70514713  0.14898704  0.28291693  1
  O  O129  1  0.20514643  0.35102211  0.21708045  1
  O  O130  1  0.04233127  0.52073079  0.81880235  1
  O  O131  1  0.54232673  0.97926573  0.68120005  1
  O  O132  1  0.95767193  0.47927721  0.18120043  1
  O  O133  1  0.45767238  0.02073012  0.31879623  1
