# generated using pymatgen
data_Fe2Co2NiH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34746085
_cell_length_b   9.70008600
_cell_length_c   13.63034761
_cell_angle_alpha   103.48350961
_cell_angle_beta   89.99998689
_cell_angle_gamma   90.00011574
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Co2NiH32C12(NO2)6
_chemical_formula_sum   'Fe4 Co4 Ni2 H64 C24 N12 O24'
_cell_volume   1201.81515547
_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  0.08780917  0.84579236  0.73107477  1
  Co  Co1  1  0.58781007  0.65420800  0.76893085  1
  Co  Co2  1  0.91218821  0.15421106  0.26892584  1
  Co  Co3  1  0.41218735  0.34579082  0.23107059  1
  Fe  Fe4  1  0.92637369  0.53400481  0.72679506  1
  Fe  Fe5  1  0.42637590  0.96598841  0.77320428  1
  Fe  Fe6  1  0.07363378  0.46599110  0.27320334  1
  Fe  Fe7  1  0.57363403  0.03401359  0.22679361  1
  Ni  Ni8  1  -0.00000242  1.00000162  1.00000063  1
  Ni  Ni9  1  0.49999930  0.49999910  0.50000096  1
  H  H10  1  0.19508930  0.19612157  0.08635301  1
  H  H11  1  0.69508999  0.30388250  0.41364755  1
  H  H12  1  0.80490881  0.80387819  0.91364402  1
  H  H13  1  0.30491027  0.69612537  0.58635558  1
  H  H14  1  0.27971435  0.09460381  0.98722700  1
  H  H15  1  0.77971589  0.40539446  0.51277684  1
  H  H16  1  0.72028689  0.90539277  0.01276900  1
  H  H17  1  0.22028920  0.59460375  0.48723148  1
  H  H18  1  0.53336548  0.46796498  0.87903856  1
  H  H19  1  0.03338201  0.03203751  0.62096880  1
  H  H20  1  0.46663407  0.53204087  0.12096153  1
  H  H21  1  0.96661559  0.96796018  0.37902999  1
  H  H22  1  0.52390835  0.22264121  0.89685567  1
  H  H23  1  0.02391469  0.27734594  0.60314542  1
  H  H24  1  0.47609145  0.77735456  0.10314290  1
  H  H25  1  0.97608703  0.72265718  0.39685358  1
  H  H26  1  0.75239302  0.02607089  0.85873707  1
  H  H27  1  0.25239031  0.47392430  0.64126723  1
  H  H28  1  0.24761177  0.97392983  0.14125896  1
  H  H29  1  0.74762025  0.52607478  0.35873926  1
  H  H30  1  0.90039657  0.08577938  0.79937671  1
  H  H31  1  0.40039566  0.41422148  0.70062904  1
  H  H32  1  0.09961256  0.91423224  0.20062553  1
  H  H33  1  0.59961358  0.58576426  0.29937025  1
  H  H34  1  0.20743995  0.32175213  0.96180425  1
  H  H35  1  0.70744177  0.17824542  0.53819150  1
  H  H36  1  0.79255511  0.67824169  0.03819032  1
  H  H37  1  0.29256127  0.82176206  0.46181067  1
  H  H38  1  0.17007186  0.16675755  0.86960023  1
  H  H39  1  0.67008040  0.33323818  0.63039884  1
  H  H40  1  0.82992269  0.83323693  0.13039372  1
  H  H41  1  0.32990994  0.66676576  0.36960330  1
  H  H42  1  0.57436056  0.39284521  0.07703286  1
  H  H43  1  0.07435275  0.10715817  0.42297009  1
  H  H44  1  0.42563203  0.60715974  0.92297649  1
  H  H45  1  0.92564226  0.89284020  0.57702645  1
  H  H46  1  0.73819469  0.43766316  0.00108793  1
  H  H47  1  0.23819060  0.06233439  0.49890948  1
  H  H48  1  0.26180347  0.56234005  0.99891600  1
  H  H49  1  0.76180630  0.93766409  0.50108768  1
  H  H50  1  0.80769936  0.27164847  0.10501200  1
  H  H51  1  0.30770396  0.22835681  0.39499132  1
  H  H52  1  0.19229103  0.72834985  0.89499145  1
  H  H53  1  0.69229186  0.77164576  0.60500691  1
  H  H54  1  0.69753887  0.13659459  0.03387567  1
  H  H55  1  0.19754197  0.36340847  0.46612794  1
  H  H56  1  0.30245455  0.86340407  0.96612354  1
  H  H57  1  0.80245626  0.63659505  0.53387389  1
  H  H58  1  0.78821471  0.31751450  0.80962421  1
  H  H59  1  0.28821676  0.18247769  0.69037595  1
  H  H60  1  0.21178879  0.68249432  0.19038002  1
  H  H61  1  0.71178236  0.81751363  0.30961777  1
  H  H62  1  0.66900884  0.17847484  0.75322568  1
  H  H63  1  0.16900505  0.32151502  0.74677429  1
  H  H64  1  0.33100418  0.82153278  0.24677381  1
  H  H65  1  0.83101036  0.67847835  0.25322946  1
  H  H66  1  0.98132752  0.43257655  0.10645384  1
  H  H67  1  0.48132375  0.06742519  0.39354252  1
  H  H68  1  0.01865770  0.56742298  0.89355177  1
  H  H69  1  0.51865786  0.93256704  0.60644360  1
  H  H70  1  0.96805860  0.36713028  0.92700505  1
  H  H71  1  0.46806453  0.13286594  0.57299966  1
  H  H72  1  0.03193499  0.63287733  0.07301659  1
  H  H73  1  0.53193750  0.86712787  0.42698824  1
  C  C74  1  0.81607842  0.11959694  0.85502601  1
  C  C75  1  0.31607884  0.38039960  0.64497846  1
  C  C76  1  0.18392400  0.88040711  0.14497199  1
  C  C77  1  0.68392647  0.61959437  0.35502309  1
  C  C78  1  0.14169417  0.22497300  0.94667449  1
  C  C79  1  0.64169606  0.27502525  0.55332483  1
  C  C80  1  0.85830454  0.77502250  0.05332134  1
  C  C81  1  0.35830098  0.72497654  0.44667568  1
  C  C82  1  0.67848285  0.33854648  0.99601642  1
  C  C83  1  0.17848168  0.16145294  0.50398323  1
  C  C84  1  0.32151844  0.66145242  0.00398475  1
  C  C85  1  0.82151703  0.83854851  0.49601522  1
  C  C86  1  0.76405887  0.22804602  0.02992787  1
  C  C87  1  0.26405997  0.27195662  0.47007471  1
  C  C88  1  0.23593733  0.77195304  0.97007292  1
  C  C89  1  0.73593750  0.72804485  0.52992468  1
  C  C90  1  0.72169544  0.23061680  0.82397478  1
  C  C91  1  0.22169508  0.26937544  0.67602557  1
  C  C92  1  0.27830993  0.76939157  0.17602631  1
  C  C93  1  0.77830773  0.73061976  0.32397413  1
  C  C94  1  0.99150985  0.27018831  0.95495578  1
  C  C95  1  0.49151063  0.22980792  0.54504699  1
  C  C96  1  0.00849194  0.72981040  0.04504735  1
  C  C97  1  0.50849048  0.77019094  0.45494887  1
  N  N98  1  0.88185186  0.17355515  0.95735088  1
  N  N99  1  0.38185263  0.32644166  0.54265442  1
  N  N100  1  0.11814568  0.82644329  0.04265244  1
  N  N101  1  0.61814727  0.67355701  0.45734398  1
  N  N102  1  0.18076176  0.13416740  0.01429762  1
  N  N103  1  0.68076209  0.36583548  0.48570359  1
  N  N104  1  0.81923706  0.86582844  0.98569924  1
  N  N105  1  0.31923846  0.63417202  0.51430054  1
  N  N106  1  0.61430213  0.29242711  0.90008503  1
  N  N107  1  0.11430752  0.20756512  0.59991758  1
  N  N108  1  0.38569727  0.70757367  0.09991490  1
  N  N109  1  0.88569081  0.79243630  0.40008349  1
  O  O110  1  0.04564890  0.93898019  0.85414040  1
  O  O111  1  0.54565149  0.56103533  0.64586249  1
  O  O112  1  0.95434575  0.06102190  0.14585929  1
  O  O113  1  0.45433849  0.43896587  0.35414053  1
  O  O114  1  -0.01358147  0.94954491  0.63953261  1
  O  O115  1  0.48641392  0.55046165  0.86047383  1
  O  O116  1  1.01358022  0.05045097  0.36046448  1
  O  O117  1  0.51358321  0.44954677  0.13953251  1
  O  O118  1  0.89399314  0.38446986  0.62556655  1
  O  O119  1  0.39400681  0.11552569  0.87443013  1
  O  O120  1  0.10600947  0.61553545  0.37442421  1
  O  O121  1  0.60600705  0.88447107  0.12557218  1
  O  O122  1  0.04166914  0.66728025  0.67936628  1
  O  O123  1  0.54167276  0.83271685  0.82063813  1
  O  O124  1  0.95833508  0.33271993  0.32063550  1
  O  O125  1  0.45833202  0.16728524  0.17936282  1
  O  O126  1  0.27286190  0.86227097  0.69979814  1
  O  O127  1  0.77286368  0.63772208  0.80020365  1
  O  O128  1  0.72713601  0.13773746  0.30020663  1
  O  O129  1  0.22713548  0.36226734  0.19979030  1
  O  O130  1  0.02747829  0.48367317  0.83772307  1
  O  O131  1  0.52747022  1.01631908  0.66227060  1
  O  O132  1  0.97252703  0.51633018  0.16227797  1
  O  O133  1  0.47252952  -0.01632901  0.33771790  1
