# generated using pymatgen
data_Co2Ni3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34565724
_cell_length_b   9.70130034
_cell_length_c   13.65192521
_cell_angle_alpha   103.49657299
_cell_angle_beta   90.00000555
_cell_angle_gamma   90.00013193
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Ni3H32C12(NO2)6
_chemical_formula_sum   'Co4 Ni6 H64 C24 N12 O24'
_cell_volume   1203.57026756
_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  0.10439534  0.84597005  0.74690289  1
  Ni  Ni1  1  0.60439794  0.65404133  0.75311294  1
  Ni  Ni2  1  0.89562201  0.15405463  0.25311693  1
  Ni  Ni3  1  0.39560551  0.34594310  0.24687746  1
  Co  Co4  1  0.94719770  0.55600689  0.73181571  1
  Co  Co5  1  0.44718801  0.94400814  0.76818660  1
  Co  Co6  1  0.05285386  0.44404772  0.26818631  1
  Co  Co7  1  0.55286427  0.05595585  0.23180005  1
  Ni  Ni8  1  0.00008312  0.99990992  0.99995998  1
  Ni  Ni9  1  0.50007653  0.50008107  0.50004684  1
  H  H10  1  0.18155375  0.20004424  0.09481497  1
  H  H11  1  0.68154041  0.29996030  0.40518231  1
  H  H12  1  0.81838141  0.79998755  0.90522289  1
  H  H13  1  0.31840550  0.70001930  0.59478291  1
  H  H14  1  0.26949289  0.09539721  0.99819250  1
  H  H15  1  0.76949198  0.40460442  0.50180001  1
  H  H16  1  0.73057682  0.90468091  0.00192207  1
  H  H17  1  0.23058086  0.59532567  0.49809875  1
  H  H18  1  0.55278772  0.45347617  0.86754111  1
  H  H19  1  0.05281635  0.04657582  0.63250487  1
  H  H20  1  0.44717831  0.54659205  0.13256915  1
  H  H21  1  0.94716346  0.95341147  0.36743100  1
  H  H22  1  0.53416749  0.21305251  0.88696658  1
  H  H23  1  0.03416742  0.28695746  0.61303441  1
  H  H24  1  0.46581159  0.78693985  0.11304403  1
  H  H25  1  0.96580147  0.71306710  0.38694677  1
  H  H26  1  0.77133007  0.02798988  0.85355192  1
  H  H27  1  0.27133537  0.47201197  0.64646615  1
  H  H28  1  0.22864670  0.97208133  0.14642025  1
  H  H29  1  0.72864396  0.52789942  0.35356104  1
  H  H30  1  0.92213124  0.09895856  0.80594839  1
  H  H31  1  0.42212631  0.40104040  0.69407698  1
  H  H32  1  0.07785146  0.90115355  0.19404778  1
  H  H33  1  0.57785242  0.59883239  0.30593101  1
  H  H34  1  0.21432915  0.32063307  0.96186990  1
  H  H35  1  0.71433659  0.17936798  0.53812304  1
  H  H36  1  0.78572051  0.67927023  0.03809866  1
  H  H37  1  0.28571799  0.82072103  0.46190145  1
  H  H38  1  0.14878317  0.16632071  0.87673886  1
  H  H39  1  0.64880231  0.33368236  0.62326102  1
  H  H40  1  0.85119395  0.83355931  0.12328228  1
  H  H41  1  0.35117092  0.66642680  0.37671669  1
  H  H42  1  0.54860284  0.41011933  0.10027337  1
  H  H43  1  0.04858142  0.08989259  0.39973588  1
  H  H44  1  0.45142254  0.58998777  0.89979032  1
  H  H45  1  0.95146354  0.91003065  0.60019775  1
  H  H46  1  0.72210235  0.43993049  0.00588387  1
  H  H47  1  0.22211748  0.06007688  0.49411016  1
  H  H48  1  0.27776348  0.56012109  0.99410251  1
  H  H49  1  0.77775830  0.93987456  0.50590751  1
  H  H50  1  0.79664487  0.26884687  0.10405746  1
  H  H51  1  0.29666094  0.23118292  0.39594842  1
  H  H52  1  0.20336212  0.73117462  0.89591166  1
  H  H53  1  0.70335273  0.76876533  0.60407257  1
  H  H54  1  0.69312784  0.13069663  0.03081289  1
  H  H55  1  0.19313509  0.36932129  0.46920039  1
  H  H56  1  0.30688177  0.86933898  0.96915737  1
  H  H57  1  0.80688368  0.63063004  0.53081437  1
  H  H58  1  0.79355217  0.32062042  0.80555475  1
  H  H59  1  0.29354380  0.17936590  0.69444196  1
  H  H60  1  0.20636817  0.67944824  0.19443617  1
  H  H61  1  0.70634983  0.82053830  0.30554796  1
  H  H62  1  0.68340070  0.17401065  0.74894821  1
  H  H63  1  0.18339305  0.32596391  0.75105892  1
  H  H64  1  0.31654124  0.82602882  0.25104939  1
  H  H65  1  0.81654046  0.67396250  0.24894720  1
  H  H66  1  0.98180363  0.35827845  0.05100588  1
  H  H67  1  0.48179723  0.14172482  0.44900791  1
  H  H68  1  0.01828179  0.64166291  0.94902275  1
  H  H69  1  0.51829185  0.85833429  0.55095877  1
  H  H70  1  0.96975579  0.36037150  0.91898961  1
  H  H71  1  0.46976182  0.13963950  0.58102517  1
  H  H72  1  0.03032817  0.63968936  0.08105827  1
  H  H73  1  0.53032253  0.86029288  0.41892035  1
  C  C74  1  0.83085707  0.12620341  0.85632438  1
  C  C75  1  0.33085945  0.37379718  0.64369349  1
  C  C76  1  0.16911117  0.87387400  0.14366081  1
  C  C77  1  0.66910508  0.62610712  0.35632497  1
  C  C78  1  0.13837941  0.23196937  0.95333730  1
  C  C79  1  0.63838828  0.26803343  0.54666357  1
  C  C80  1  0.86164090  0.76796882  0.04666837  1
  C  C81  1  0.36163732  0.73202178  0.45332844  1
  C  C82  1  0.67673377  0.33224734  0.98947893  1
  C  C83  1  0.17674425  0.16776254  0.51052240  1
  C  C84  1  0.32317297  0.66778513  0.01053194  1
  C  C85  1  0.82318289  0.83220759  0.48947516  1
  C  C86  1  0.75716234  0.22461688  0.02785378  1
  C  C87  1  0.25716998  0.27540146  0.47215598  1
  C  C88  1  0.24284289  0.77542796  0.97212167  1
  C  C89  1  0.74284751  0.72454598  0.52786364  1
  C  C90  1  0.73265828  0.23031671  0.81992804  1
  C  C91  1  0.23265898  0.26967629  0.68007794  1
  C  C92  1  0.26726898  0.76974264  0.18006997  1
  C  C93  1  0.76726298  0.73025218  0.31992475  1
  C  C94  1  0.98874100  0.29283889  0.97285261  1
  C  C95  1  0.48874452  0.20716677  0.52715880  1
  C  C96  1  0.01129695  0.70714379  0.02715798  1
  C  C97  1  0.51129889  0.79284310  0.47282583  1
  N  N98  1  0.88184251  0.17718851  0.96113192  1
  N  N99  1  0.38184801  0.32281785  0.53888402  1
  N  N100  1  0.11814965  0.82283901  0.03884351  1
  N  N101  1  0.61814598  0.67714309  0.46114091  1
  N  N102  1  0.17249899  0.14067623  0.02133224  1
  N  N103  1  0.67249605  0.35932376  0.47866521  1
  N  N104  1  0.82751703  0.85931422  0.97870880  1
  N  N105  1  0.32752533  0.64068766  0.52129795  1
  N  N106  1  0.61909821  0.28669090  0.89388141  1
  N  N107  1  0.11910013  0.21331607  0.60611833  1
  N  N108  1  0.38083053  0.71333227  0.10612587  1
  N  N109  1  0.88081888  0.78667161  0.39387380  1
  O  O110  1  0.04637564  0.95234026  0.87076999  1
  O  O111  1  0.54640776  0.54769679  0.62924022  1
  O  O112  1  0.95351414  0.04781482  0.12917518  1
  O  O113  1  0.45348304  0.45214708  0.37083208  1
  O  O114  1  0.00926129  0.96609219  0.65603846  1
  O  O115  1  0.50923356  0.53392200  0.84396022  1
  O  O116  1  0.99082872  0.03384805  0.34388233  1
  O  O117  1  0.49084922  0.46615697  0.15612351  1
  O  O118  1  0.90392808  0.41104486  0.64562455  1
  O  O119  1  0.40390649  0.08896461  0.85437826  1
  O  O120  1  0.09609495  0.58905958  0.35434885  1
  O  O121  1  0.59611973  0.91094745  0.14563975  1
  O  O122  1  0.05105825  0.66058859  0.67537281  1
  O  O123  1  0.55106420  0.83944526  0.82464634  1
  O  O124  1  0.94907876  0.33944433  0.32469625  1
  O  O125  1  0.44908211  0.16055403  0.17528552  1
  O  O126  1  0.30183668  0.84562798  0.71540467  1
  O  O127  1  0.80183208  0.65436660  0.78460058  1
  O  O128  1  0.69822413  0.15430979  0.28465542  1
  O  O129  1  0.19821912  0.34569641  0.21533487  1
  O  O130  1  0.03547306  0.51235231  0.82597311  1
  O  O131  1  0.53546148  0.98765823  0.67402677  1
  O  O132  1  0.96447909  0.48761768  0.17403957  1
  O  O133  1  0.46447848  0.01237862  0.32594002  1
