# generated using pymatgen
data_Fe3Co2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35113889
_cell_length_b   9.70800156
_cell_length_c   13.62908206
_cell_angle_alpha   103.52582488
_cell_angle_beta   90.00002542
_cell_angle_gamma   90.00013222
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Co2H32C12(NO2)6
_chemical_formula_sum   'Fe6 Co4 H64 C24 N12 O24'
_cell_volume   1202.94404045
_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  0.08545889  0.84704005  0.73163513  1
  Co  Co1  1  0.58544473  0.65298248  0.76836752  1
  Co  Co2  1  0.91457562  0.15304584  0.26826629  1
  Co  Co3  1  0.41452848  0.34693918  0.23177404  1
  Fe  Fe4  1  0.92514714  0.53487959  0.72696508  1
  Fe  Fe5  1  0.42515950  0.96512393  0.77302665  1
  Fe  Fe6  1  0.07486613  0.46518163  0.27307379  1
  Fe  Fe7  1  0.57485702  0.03484723  0.22690627  1
  Fe  Fe8  1  0.00005249  0.99979209  0.99997734  1
  Fe  Fe9  1  0.50005057  0.50020594  0.50006283  1
  H  H10  1  0.19724146  0.19757901  0.08745931  1
  H  H11  1  0.69723417  0.30245322  0.41254237  1
  H  H12  1  0.80271351  0.80233115  0.91260069  1
  H  H13  1  0.30272276  0.69769280  0.58740475  1
  H  H14  1  0.28180164  0.09909855  0.98565585  1
  H  H15  1  0.78181234  0.40090106  0.51434607  1
  H  H16  1  0.71834223  0.90083204  0.01448148  1
  H  H17  1  0.21836055  0.59915979  0.48552935  1
  H  H18  1  0.53075152  0.46842224  0.87560637  1
  H  H19  1  0.03073639  0.03163265  0.62449508  1
  H  H20  1  0.46957180  0.53149168  0.12516192  1
  H  H21  1  0.96954329  0.96864571  0.37497578  1
  H  H22  1  0.52237094  0.22348644  0.89729264  1
  H  H23  1  0.02237529  0.27651718  0.60267137  1
  H  H24  1  0.47751171  0.77645597  0.10263593  1
  H  H25  1  0.97752763  0.72354600  0.39731754  1
  H  H26  1  0.74973408  0.02704506  0.85804779  1
  H  H27  1  0.24974993  0.47295365  0.64194658  1
  H  H28  1  0.25007670  0.97318877  0.14184378  1
  H  H29  1  0.75007924  0.52681516  0.35814726  1
  H  H30  1  0.89681843  0.08653809  0.79771777  1
  H  H31  1  0.39682485  0.41343899  0.70226437  1
  H  H32  1  0.10323705  0.91352260  0.20217630  1
  H  H33  1  0.60324170  0.58647989  0.29781444  1
  H  H34  1  0.20627958  0.32500424  0.96423543  1
  H  H35  1  0.70628739  0.17498954  0.53574285  1
  H  H36  1  0.79386720  0.67466966  0.03568733  1
  H  H37  1  0.29386700  0.82532201  0.46430290  1
  H  H38  1  0.16962464  0.17024955  0.87114356  1
  H  H39  1  0.66964187  0.32972837  0.62884972  1
  H  H40  1  0.83026893  0.82936221  0.12888435  1
  H  H41  1  0.33026713  0.67063122  0.37111466  1
  H  H42  1  0.57890678  0.39129916  0.07217748  1
  H  H43  1  0.07920396  0.10892090  0.42809819  1
  H  H44  1  0.42122131  0.60887521  0.92790612  1
  H  H45  1  0.92125514  0.89116681  0.57214494  1
  H  H46  1  0.74018827  0.43560149  -0.00138940  1
  H  H47  1  0.24015656  0.06432696  0.50133803  1
  H  H48  1  0.25986496  0.56414901  1.00142165  1
  H  H49  1  0.75982376  0.93577644  0.49852812  1
  H  H50  1  0.80601596  0.26987149  0.10440840  1
  H  H51  1  0.30607541  0.23008440  0.39558518  1
  H  H52  1  0.19394915  0.72983258  0.89559902  1
  H  H53  1  0.69398300  0.77016380  0.60439448  1
  H  H54  1  0.69544634  0.13621498  0.03212673  1
  H  H55  1  0.19546731  0.36372685  0.46781692  1
  H  H56  1  0.30462550  0.86352056  0.96773198  1
  H  H57  1  0.80461278  0.63643146  0.53224163  1
  H  H58  1  0.78463508  0.31808646  0.80903521  1
  H  H59  1  0.28458946  0.18190112  0.69095726  1
  H  H60  1  0.21531077  0.68215307  0.19113577  1
  H  H61  1  0.71530771  0.81786514  0.30885397  1
  H  H62  1  0.66592980  0.17905910  0.75287095  1
  H  H63  1  0.16588156  0.32093592  0.74707772  1
  H  H64  1  0.33416278  0.82132248  0.24712753  1
  H  H65  1  0.83411836  0.67867334  0.25283510  1
  H  H66  1  0.97586522  0.42978979  0.10507593  1
  H  H67  1  0.47592030  0.07020450  0.39491563  1
  H  H68  1  0.02404772  0.57017634  0.89500699  1
  H  H69  1  0.52406183  0.92980110  0.60498602  1
  H  H70  1  0.96898974  0.36654500  0.92347474  1
  H  H71  1  0.46901823  0.13343617  0.57652989  1
  H  H72  1  0.03118423  0.63332436  0.07655624  1
  H  H73  1  0.53119284  0.86666563  0.42342051  1
  C  C74  1  0.81315950  0.12049400  0.85406077  1
  C  C75  1  0.31316103  0.37948707  0.64592194  1
  C  C76  1  0.18679809  0.87965761  0.14586572  1
  C  C77  1  0.68680848  0.62034638  0.35412416  1
  C  C78  1  0.14096120  0.22811056  0.94830887  1
  C  C79  1  0.64096425  0.27188795  0.55168549  1
  C  C80  1  0.85905135  0.77164741  0.05174180  1
  C  C81  1  0.35905941  0.72835044  0.44825490  1
  C  C82  1  0.67545885  0.34054275  0.99634870  1
  C  C83  1  0.17542512  0.15941211  0.50360341  1
  C  C84  1  0.32448711  0.65924881  0.00364498  1
  C  C85  1  0.82453046  0.84073903  0.49633486  1
  C  C86  1  0.76184153  0.22808187  0.02919139  1
  C  C87  1  0.26184227  0.27188257  0.47078903  1
  C  C88  1  0.23814971  0.77175825  0.97079942  1
  C  C89  1  0.73815540  0.72822206  0.52917424  1
  C  C90  1  0.71837949  0.23130210  0.82356891  1
  C  C91  1  0.21834420  0.26867375  0.67640369  1
  C  C92  1  0.28148928  0.76894358  0.17646977  1
  C  C93  1  0.78148548  0.73105467  0.32350851  1
  C  C94  1  0.99023256  0.27200838  0.95457563  1
  C  C95  1  0.49023919  0.22796712  0.54541949  1
  C  C96  1  0.00978492  0.72787988  0.04548109  1
  C  C97  1  0.50978488  0.77210735  0.45450851  1
  N  N98  1  0.87957755  0.17485562  0.95597499  1
  N  N99  1  0.37956909  0.32510320  0.54401135  1
  N  N100  1  0.12027355  0.82519486  0.04400496  1
  N  N101  1  0.62027260  0.67479559  0.45597339  1
  N  N102  1  0.18190940  0.13602055  0.01513030  1
  N  N103  1  0.68190987  0.36399618  0.48487621  1
  N  N104  1  0.81818389  0.86377086  0.98494356  1
  N  N105  1  0.31819447  0.63624253  0.51506187  1
  N  N106  1  0.61118472  0.29322356  0.89952427  1
  N  N107  1  0.11117070  0.20677440  0.60045533  1
  N  N108  1  0.38874713  0.70670563  0.10051555  1
  N  N109  1  0.88874865  0.79329534  0.39947598  1
  O  O110  1  0.04193828  0.93082090  0.86212079  1
  O  O111  1  0.54178811  0.56909793  0.63794296  1
  O  O112  1  0.95709095  0.07062934  0.13737028  1
  O  O113  1  0.45692848  0.42925664  0.36270241  1
  O  O114  1  -0.01754335  0.94770312  0.63966955  1
  O  O115  1  0.48245626  0.55235585  0.86038843  1
  O  O116  1  1.01792272  0.05249508  0.36000603  1
  O  O117  1  0.51804258  0.44759900  0.14005032  1
  O  O118  1  0.88960481  0.38830225  0.62353380  1
  O  O119  1  0.38959863  0.11172912  0.87644100  1
  O  O120  1  0.11038100  0.61169951  0.37652669  1
  O  O121  1  0.61034966  0.88832603  0.12345098  1
  O  O122  1  0.03955786  0.66817793  0.68085082  1
  O  O123  1  0.53958423  0.83183650  0.81916341  1
  O  O124  1  0.96057590  0.33200737  0.31931477  1
  O  O125  1  0.46055613  0.16802263  0.18067088  1
  O  O126  1  0.27021415  0.86267557  0.70055465  1
  O  O127  1  0.77021696  0.63733328  0.79943397  1
  O  O128  1  0.72981711  0.13739884  0.29934980  1
  O  O129  1  0.22983400  0.36265226  0.20060926  1
  O  O130  1  0.02737896  0.48684583  0.83844791  1
  O  O131  1  0.52740482  1.01313400  0.66154319  1
  O  O132  1  0.97264539  0.51316538  0.16160863  1
  O  O133  1  0.47267972  -0.01316428  0.33837630  1
