# generated using pymatgen
data_Co2Ni3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34767825
_cell_length_b   9.69469335
_cell_length_c   13.63566988
_cell_angle_alpha   103.40881484
_cell_angle_beta   90.00002892
_cell_angle_gamma   90.00012504
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Ni3H32C12(NO2)6
_chemical_formula_sum   'Co4 Ni6 H64 C24 N12 O24'
_cell_volume   1202.01857867
_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  0.09319880  0.85947606  0.73363879  1
  Co  Co1  1  0.59319933  0.64051605  0.76635908  1
  Co  Co2  1  0.90679879  0.14052380  0.26636120  1
  Co  Co3  1  0.40679934  0.35948623  0.23364182  1
  Ni  Ni4  1  0.93383651  0.55747288  0.73099496  1
  Ni  Ni5  1  0.43383803  0.94252150  0.76900668  1
  Ni  Ni6  1  0.06616014  0.44252824  0.26900480  1
  Ni  Ni7  1  0.56615830  0.05747956  0.23099329  1
  Ni  Ni8  1  0.00000103  0.99999910  1.00000052  1
  Ni  Ni9  1  0.50000024  0.49999993  0.50000023  1
  H  H10  1  0.18992125  0.19270228  0.08715074  1
  H  H11  1  0.68992095  0.30729828  0.41284920  1
  H  H12  1  0.81007902  0.80729885  0.91284956  1
  H  H13  1  0.31008073  0.69270170  0.58715163  1
  H  H14  1  0.27602334  0.09383392  0.98674017  1
  H  H15  1  0.77602272  0.40616780  0.51325936  1
  H  H16  1  0.72397834  0.90616602  0.01326151  1
  H  H17  1  0.22397891  0.59383288  0.48674131  1
  H  H18  1  0.58477661  0.38355394  0.86784389  1
  H  H19  1  0.08478023  0.11644189  0.63215540  1
  H  H20  1  0.41522397  0.61644721  0.13215619  1
  H  H21  1  0.91521775  0.88355755  0.36784380  1
  H  H22  1  0.47480614  0.16355111  0.88514691  1
  H  H23  1  -0.02519586  0.33644212  0.61485783  1
  H  H24  1  0.52519351  0.83645062  0.11484968  1
  H  H25  1  1.02519728  0.66355826  0.38514552  1
  H  H26  1  0.75908076  0.02924476  0.85339607  1
  H  H27  1  0.25908519  0.47075170  0.64660881  1
  H  H28  1  0.24091992  0.97075639  0.14660335  1
  H  H29  1  0.74091509  0.52924610  0.35339265  1
  H  H30  1  0.91227708  0.08616288  0.79690835  1
  H  H31  1  0.41228081  0.41383043  0.70309403  1
  H  H32  1  0.08772462  0.91383896  0.20309108  1
  H  H33  1  0.58772081  0.58616658  0.29690702  1
  H  H34  1  0.20816032  0.32757136  0.96814658  1
  H  H35  1  0.70816028  0.17242778  0.53185177  1
  H  H36  1  0.79184118  0.67242699  0.03185124  1
  H  H37  1  0.29184108  0.82757305  0.46814970  1
  H  H38  1  0.17231987  0.17709219  0.87117165  1
  H  H39  1  0.67232239  0.32290471  0.62882717  1
  H  H40  1  0.82768021  0.82290447  0.12882733  1
  H  H41  1  0.32767702  0.67709608  0.37117408  1
  H  H42  1  0.58357275  0.36680216  0.04473911  1
  H  H43  1  0.08357184  0.13319717  0.45526248  1
  H  H44  1  0.41642746  0.63319781  0.95526050  1
  H  H45  1  0.91642808  0.86680398  0.54473704  1
  H  H46  1  0.74037808  0.44246231  0.00980948  1
  H  H47  1  0.24037800  0.05753655  0.49019235  1
  H  H48  1  0.25962160  0.55753811  0.99018994  1
  H  H49  1  0.75962097  0.94246357  0.50980735  1
  H  H50  1  0.80131389  0.26255953  0.10251527  1
  H  H51  1  0.30131259  0.23744298  0.39748775  1
  H  H52  1  0.19868627  0.73744137  0.89748435  1
  H  H53  1  0.69868737  0.76255739  0.60251222  1
  H  H54  1  0.69507145  0.13274035  0.02327463  1
  H  H55  1  0.19507089  0.36725966  0.47672954  1
  H  H56  1  0.30492983  0.86725999  0.97672518  1
  H  H57  1  0.80493044  0.63274149  0.52327104  1
  H  H58  1  0.81119497  0.31649516  0.79854673  1
  H  H59  1  0.31119536  0.18349964  0.70145391  1
  H  H60  1  0.18880624  0.68350756  0.20145364  1
  H  H61  1  0.68880586  0.81649485  0.29854343  1
  H  H62  1  0.68341278  0.18245629  0.74905533  1
  H  H63  1  0.18341494  0.31753875  0.75094692  1
  H  H64  1  0.31658862  0.81754570  0.25094386  1
  H  H65  1  0.81658723  0.68245604  0.24905377  1
  H  H66  1  0.97365696  0.42757729  0.10833923  1
  H  H67  1  0.47365758  0.07242664  0.39165994  1
  H  H68  1  0.02633918  0.57242392  0.89166111  1
  H  H69  1  0.52633850  0.92757364  0.60834013  1
  H  H70  1  0.96823200  0.37246924  0.92748797  1
  H  H71  1  0.46823419  0.12752937  0.57251522  1
  H  H72  1  0.03176986  0.62753208  0.07251364  1
  H  H73  1  0.53176691  0.87246868  0.42748126  1
  C  C74  1  0.82565308  0.12157076  0.85163084  1
  C  C75  1  0.32565849  0.37842817  0.64837591  1
  C  C76  1  0.17434801  0.87843001  0.14836806  1
  C  C77  1  0.67434204  0.62156902  0.35162434  1
  C  C78  1  0.14226728  0.23061613  0.94902708  1
  C  C79  1  0.64226795  0.26938298  0.55097252  1
  C  C80  1  0.85773385  0.76938229  0.05097171  1
  C  C81  1  0.35773324  0.73061712  0.44902841  1
  C  C82  1  0.67739027  0.34297283  0.99478659  1
  C  C83  1  0.17739051  0.15702643  0.50521531  1
  C  C84  1  0.32260927  0.65702763  0.00521328  1
  C  C85  1  0.82260876  0.84297371  0.49478437  1
  C  C86  1  0.76222370  0.22590217  0.02549453  1
  C  C87  1  0.26222414  0.27409832  0.47450953  1
  C  C88  1  0.23777722  0.77409794  0.97450484  1
  C  C89  1  0.73777669  0.72590168  0.52549073  1
  C  C90  1  0.73960681  0.23590930  0.81811641  1
  C  C91  1  0.23960956  0.26408763  0.68188624  1
  C  C92  1  0.26039420  0.76409232  0.18188319  1
  C  C93  1  0.76039132  0.73590885  0.31811345  1
  C  C94  1  0.99185450  0.27430568  0.95448545  1
  C  C95  1  0.49185486  0.22569403  0.54551646  1
  C  C96  1  0.00814645  0.72569521  0.04551496  1
  C  C97  1  0.50814642  0.77430450  0.45448200  1
  N  N98  1  0.88404642  0.17602505  0.95545224  1
  N  N99  1  0.38404746  0.32397535  0.54455242  1
  N  N100  1  0.11595398  0.82397584  0.04454713  1
  N  N101  1  0.61595289  0.67602342  0.45544773  1
  N  N102  1  0.17723305  0.13445442  0.01392526  1
  N  N103  1  0.67723262  0.36554538  0.48607499  1
  N  N104  1  0.82276794  0.86554636  0.98607491  1
  N  N105  1  0.32276888  0.63445459  0.51392598  1
  N  N106  1  0.63194308  0.29967314  0.89099179  1
  N  N107  1  0.13194485  0.20032620  0.60901024  1
  N  N108  1  0.36805726  0.70032708  0.10900773  1
  N  N109  1  0.86805467  0.79967315  0.39098952  1
  O  O110  1  0.05981149  0.90088220  0.85949239  1
  O  O111  1  0.55981951  0.59911919  0.64050503  1
  O  O112  1  0.94018859  0.09911818  0.14050803  1
  O  O113  1  0.44018011  0.40088019  0.35949582  1
  O  O114  1  0.01575209  0.97925625  0.68144549  1
  O  O115  1  0.51573950  0.52072526  0.81853572  1
  O  O116  1  0.98424553  0.02074424  0.31855524  1
  O  O117  1  0.48426222  0.47927776  0.18146727  1
  O  O118  1  0.89276112  0.40283188  0.62384394  1
  O  O119  1  0.39276444  0.09715975  0.87616133  1
  O  O120  1  0.10723862  0.59716689  0.37615918  1
  O  O121  1  0.60723260  0.90284449  0.12383456  1
  O  O122  1  0.03278620  0.69441050  0.67844556  1
  O  O123  1  0.53278930  0.80558073  0.82155432  1
  O  O124  1  0.96721034  0.30558921  0.32155481  1
  O  O125  1  0.46720723  0.19442158  0.17844478  1
  O  O126  1  0.27178822  0.84603320  0.70584980  1
  O  O127  1  0.77178683  0.65395754  0.79415309  1
  O  O128  1  0.72821017  0.15396616  0.29414993  1
  O  O129  1  0.22821228  0.34604576  0.20584745  1
  O  O130  1  0.02658344  0.48875179  0.83515294  1
  O  O131  1  0.52658113  1.01124637  0.66484771  1
  O  O132  1  0.97341179  0.51124951  0.16484798  1
  O  O133  1  0.47341492  -0.01124650  0.33515170  1
