# generated using pymatgen
data_Fe2CoNi2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35089878
_cell_length_b   9.70320662
_cell_length_c   13.62783012
_cell_angle_alpha   103.58465809
_cell_angle_beta   89.99998843
_cell_angle_gamma   90.00013478
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CoNi2H32C12(NO2)6
_chemical_formula_sum   'Fe4 Co2 Ni4 H64 C24 N12 O24'
_cell_volume   1201.91098026
_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  0.10322873  0.83729855  0.73898884  1
  Ni  Ni1  1  0.60327490  0.66273385  0.76100459  1
  Ni  Ni2  1  0.89672625  0.16272229  0.26100122  1
  Ni  Ni3  1  0.39676237  0.33732261  0.23899133  1
  Fe  Fe4  1  0.93804029  0.55138610  0.73013497  1
  Fe  Fe5  1  0.43803842  0.94857611  0.76986917  1
  Fe  Fe6  1  0.06196235  0.44857356  0.26986872  1
  Fe  Fe7  1  0.56196515  0.05145236  0.23013710  1
  Co  Co8  1  0.00026671  0.99970489  1.00010245  1
  Co  Co9  1  0.49972323  0.49968774  0.50011014  1
  H  H10  1  0.17837801  0.20545674  0.09503688  1
  H  H11  1  0.67837422  0.29450371  0.40497803  1
  H  H12  1  0.82161462  0.79449975  0.90496921  1
  H  H13  1  0.32162577  0.70546055  0.59503867  1
  H  H14  1  0.26915911  0.09685210  1.00089422  1
  H  H15  1  0.76906900  0.40320947  0.49914185  1
  H  H16  1  0.73094405  0.90322513  -0.00085306  1
  H  H17  1  0.23084215  0.59686175  0.50089608  1
  H  H18  1  0.56576187  0.44182871  0.85992629  1
  H  H19  1  0.06567797  0.05815894  0.64004314  1
  H  H20  1  0.43426250  0.55814233  0.14003615  1
  H  H21  1  0.93423355  0.94183525  0.35994169  1
  H  H22  1  0.45610514  0.18261777  0.88962413  1
  H  H23  1  -0.04379087  0.31737374  0.61038478  1
  H  H24  1  0.54399388  0.81744647  0.11031276  1
  H  H25  1  1.04391355  0.68259849  0.38964943  1
  H  H26  1  0.73965352  0.02680943  0.85879960  1
  H  H27  1  0.23962772  0.47323847  0.64123560  1
  H  H28  1  0.26035469  0.97319969  0.14122839  1
  H  H29  1  0.76036259  0.52681254  0.35879389  1
  H  H30  1  0.89437387  0.06663899  0.79583689  1
  H  H31  1  0.39436303  0.43336834  0.70417268  1
  H  H32  1  0.10560257  0.93334635  0.20414544  1
  H  H33  1  0.60563848  0.56663647  0.29583282  1
  H  H34  1  0.20594392  0.32019734  0.96232505  1
  H  H35  1  0.70595179  0.17974557  0.53769603  1
  H  H36  1  0.79404162  0.67973240  0.03767790  1
  H  H37  1  0.29406528  0.82020279  0.46232933  1
  H  H38  1  0.16610287  0.16062977  0.87293763  1
  H  H39  1  0.66612813  0.33934913  0.62707814  1
  H  H40  1  0.83388942  0.83932855  0.12706582  1
  H  H41  1  0.33389814  0.66063370  0.37294040  1
  H  H42  1  0.53901345  0.41907692  0.10572033  1
  H  H43  1  0.03898311  0.08090517  0.39423760  1
  H  H44  1  0.46096705  0.58087054  0.89421900  1
  H  H45  1  0.96096866  0.91907216  0.60571358  1
  H  H46  1  0.70725138  0.45694348  0.03354550  1
  H  H47  1  0.20729156  0.04307917  0.46648674  1
  H  H48  1  0.29271389  0.54303265  0.96645235  1
  H  H49  1  0.79272784  0.95694095  0.53355997  1
  H  H50  1  0.80753758  0.27141318  0.09946600  1
  H  H51  1  0.30753205  0.22862895  0.40053132  1
  H  H52  1  0.19248415  0.72862494  0.90050948  1
  H  H53  1  0.69246354  0.77138102  0.59946821  1
  H  H54  1  0.69018132  0.14586060  0.02768386  1
  H  H55  1  0.19012559  0.35414850  0.47233525  1
  H  H56  1  0.30988522  0.85412173  0.97232232  1
  H  H57  1  0.80982510  0.64585127  0.52767246  1
  H  H58  1  0.80659950  0.29093070  0.77950319  1
  H  H59  1  0.30655833  0.20903908  0.72044556  1
  H  H60  1  0.19337974  0.70908758  0.22052060  1
  H  H61  1  0.69339887  0.79093722  0.27950242  1
  H  H62  1  0.65897589  0.17559927  0.75431075  1
  H  H63  1  0.15897520  0.32442535  0.74570801  1
  H  H64  1  0.34101991  0.82442166  0.24566219  1
  H  H65  1  0.84103006  0.67561383  0.25431821  1
  H  H66  1  0.97869684  0.43125496  0.10221261  1
  H  H67  1  0.47861371  0.06870051  0.39776596  1
  H  H68  1  0.02130176  0.56876712  0.89780511  1
  H  H69  1  0.52130658  0.93124861  0.60220306  1
  H  H70  1  0.96480670  0.36354512  0.92019480  1
  H  H71  1  0.46475732  0.13649686  0.57983580  1
  H  H72  1  0.03523424  0.63646238  0.07980026  1
  H  H73  1  0.53519910  0.86352268  0.42017358  1
  C  C74  1  0.81239353  0.11233552  0.85105122  1
  C  C75  1  0.31238168  0.38770700  0.64894792  1
  C  C76  1  0.18760020  0.88766380  0.14893877  1
  C  C77  1  0.68761662  0.61233638  0.35104953  1
  C  C78  1  0.13803673  0.22485300  0.94867536  1
  C  C79  1  0.63805061  0.27509467  0.55134829  1
  C  C80  1  0.86194994  0.77507938  0.05133039  1
  C  C81  1  0.36196860  0.72485571  0.44867879  1
  C  C82  1  0.69630170  0.34911292  0.98601928  1
  C  C83  1  0.19631322  0.15092820  0.51399317  1
  C  C84  1  0.30365640  0.65086851  0.01396658  1
  C  C85  1  0.80368778  0.84911581  0.48603174  1
  C  C86  1  0.76337059  0.23307080  0.02394638  1
  C  C87  1  0.26336444  0.26695864  0.47604779  1
  C  C88  1  0.23664475  0.76692898  0.97603858  1
  C  C89  1  0.73663063  0.73305896  0.52394537  1
  C  C90  1  0.73201577  0.22775886  0.81452729  1
  C  C91  1  0.23199203  0.27227951  0.68546415  1
  C  C92  1  0.26796238  0.77222758  0.18546429  1
  C  C93  1  0.76798478  0.72777202  0.31453087  1
  C  C94  1  0.98798514  0.26753287  0.94898592  1
  C  C95  1  0.48799269  0.23246061  0.55101399  1
  C  C96  1  0.01200156  0.73242297  0.05097876  1
  C  C97  1  0.51202065  0.76752811  0.44898164  1
  N  N98  1  0.88013959  0.16898365  0.95212100  1
  N  N99  1  0.38017959  0.33113371  0.54785967  1
  N  N100  1  0.11983206  0.83108878  0.04784688  1
  N  N101  1  0.61986905  0.66898210  0.45211463  1
  N  N102  1  0.16923762  0.13867857  0.02139318  1
  N  N103  1  0.66920277  0.36125895  0.47862746  1
  N  N104  1  0.83079749  0.86125330  0.97861409  1
  N  N105  1  0.33076466  0.63868162  0.52139545  1
  N  N106  1  0.65144731  0.32523948  0.89385844  1
  N  N107  1  0.15137828  0.17483207  0.60613152  1
  N  N108  1  0.34852331  0.67474408  0.10613187  1
  N  N109  1  0.84854393  0.82525110  0.39386720  1
  O  O110  1  0.05477265  0.93369029  0.87785970  1
  O  O111  1  0.55508173  0.56664367  0.62206587  1
  O  O112  1  0.94493378  0.06662403  0.12207174  1
  O  O113  1  0.44521864  0.43366808  0.37786591  1
  O  O114  1  0.00654528  0.98005849  0.66472495  1
  O  O115  1  0.50658837  0.51990686  0.83522051  1
  O  O116  1  0.99341807  0.01990560  0.33523337  1
  O  O117  1  0.49346075  0.48007952  0.16472777  1
  O  O118  1  0.87983128  0.38662892  0.63143585  1
  O  O119  1  0.37976729  0.11333087  0.86856654  1
  O  O120  1  0.12024118  0.61330399  0.36858948  1
  O  O121  1  0.62030338  0.88674606  0.13140289  1
  O  O122  1  0.05115341  0.65768201  0.66562191  1
  O  O123  1  0.55116274  0.84229880  0.83440961  1
  O  O124  1  0.94885091  0.34228940  0.33440457  1
  O  O125  1  0.44884193  0.15772874  0.16560370  1
  O  O126  1  0.29590069  0.83240616  0.70108465  1
  O  O127  1  0.79593428  0.66755011  0.79894911  1
  O  O128  1  0.70409518  0.16757875  0.29897916  1
  O  O129  1  0.20410488  0.33241682  0.20107994  1
  O  O130  1  0.03098355  0.48842143  0.83944925  1
  O  O131  1  0.53094414  1.01160172  0.66055529  1
  O  O132  1  0.96905700  0.51161521  0.16055955  1
  O  O133  1  0.46900923  -0.01164801  0.33941023  1
