# generated using pymatgen
data_MnCo2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34756664
_cell_length_b   9.70894140
_cell_length_c   13.65262667
_cell_angle_alpha   103.53782882
_cell_angle_beta   89.99997482
_cell_angle_gamma   90.00010290
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo2Ni2H32C12(NO2)6
_chemical_formula_sum   'Mn2 Co4 Ni4 H64 C24 N12 O24'
_cell_volume   1204.61770046
_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  0.10121575  0.84146641  0.74296168  1
  Ni  Ni1  1  0.60119633  0.65854515  0.75705513  1
  Ni  Ni2  1  0.89900550  0.15861410  0.25727397  1
  Ni  Ni3  1  0.39901397  0.34142078  0.24272795  1
  Co  Co4  1  0.94477889  0.55669465  0.73242601  1
  Co  Co5  1  0.44478563  0.94330556  0.76757511  1
  Co  Co6  1  0.05530624  0.44347085  0.26764127  1
  Co  Co7  1  0.55529872  0.05656182  0.23236447  1
  Mn  Mn8  1  0.00057497  0.99925071  1.00021471  1
  Mn  Mn9  1  0.50064186  0.50083546  0.49976425  1
  H  H10  1  0.18375009  0.20230865  0.09393012  1
  H  H11  1  0.68376815  0.29772438  0.40607496  1
  H  H12  1  0.81605920  0.79763219  0.90612809  1
  H  H13  1  0.31608267  0.70240526  0.59388613  1
  H  H14  1  0.27015298  0.09921177  0.99585632  1
  H  H15  1  0.77014942  0.40080929  0.50416548  1
  H  H16  1  0.72992441  0.90090049  0.00436321  1
  H  H17  1  0.22991687  0.59911735  0.49566916  1
  H  H18  1  0.54694470  0.45650986  0.86985790  1
  H  H19  1  0.04696885  0.04350809  0.63015029  1
  H  H20  1  0.45331349  0.54301766  0.12982344  1
  H  H21  1  0.95326084  0.95695940  0.37014143  1
  H  H22  1  0.53187018  0.21477832  0.88673015  1
  H  H23  1  0.03187622  0.28523979  0.61328200  1
  H  H24  1  0.46789569  0.78544431  0.11346015  1
  H  H25  1  0.96788440  0.71456619  0.38653165  1
  H  H26  1  0.76980197  0.03155755  0.85258034  1
  H  H27  1  0.26983837  0.46843597  0.64742300  1
  H  H28  1  0.23013584  0.96879758  0.14751795  1
  H  H29  1  0.73015677  0.53117683  0.35246701  1
  H  H30  1  0.91968798  0.10424507  0.80490565  1
  H  H31  1  0.41971606  0.39574069  0.69510057  1
  H  H32  1  0.08009411  0.89622046  0.19516158  1
  H  H33  1  0.58010416  0.60374215  0.30482864  1
  H  H34  1  0.21251685  0.32590490  0.96390995  1
  H  H35  1  0.71252759  0.17409110  0.53606439  1
  H  H36  1  0.78753327  0.67379533  0.03605008  1
  H  H37  1  0.28754108  0.82620136  0.46392959  1
  H  H38  1  0.15009073  0.17368558  0.87590379  1
  H  H39  1  0.65007961  0.32628282  0.62409353  1
  H  H40  1  0.84968771  0.82602274  0.12414356  1
  H  H41  1  0.34967165  0.67394258  0.37585746  1
  H  H42  1  0.55520398  0.40742046  0.09939587  1
  H  H43  1  0.05517276  0.09252378  0.40057610  1
  H  H44  1  0.44501677  0.59199941  0.90013878  1
  H  H45  1  0.94503762  0.90801797  0.59987377  1
  H  H46  1  0.72277186  0.44200080  0.00278418  1
  H  H47  1  0.22270236  0.05796446  0.49720240  1
  H  H48  1  0.27780751  0.55794751  0.99679596  1
  H  H49  1  0.77781171  0.94205166  0.50323160  1
  H  H50  1  0.79474405  0.27391377  0.10365350  1
  H  H51  1  0.29474938  0.22605716  0.39635909  1
  H  H52  1  0.20529660  0.72611698  0.89642317  1
  H  H53  1  0.70530265  0.77384959  0.60357426  1
  H  H54  1  0.69049932  0.13520705  0.03101460  1
  H  H55  1  0.19051908  0.36477363  0.46898874  1
  H  H56  1  0.30951327  0.86495329  0.96901908  1
  H  H57  1  0.80952816  0.63502246  0.53096684  1
  H  H58  1  0.78986834  0.32400170  0.80502704  1
  H  H59  1  0.28986516  0.17601068  0.69499932  1
  H  H60  1  0.20975291  0.67648444  0.19523698  1
  H  H61  1  0.70972798  0.82349399  0.30474847  1
  H  H62  1  0.68095107  0.17656949  0.74891331  1
  H  H63  1  0.18095871  0.32345804  0.75110279  1
  H  H64  1  0.31875583  0.82389507  0.25126088  1
  H  H65  1  0.81875670  0.67609681  0.24873363  1
  H  H66  1  0.97984900  0.36186868  0.05158702  1
  H  H67  1  0.47985392  0.13811254  0.44840986  1
  H  H68  1  0.02029720  0.63819831  0.94847127  1
  H  H69  1  0.52030410  0.86178235  0.55151815  1
  H  H70  1  0.96727007  0.36335731  0.91918784  1
  H  H71  1  0.46729438  0.13661650  0.58081081  1
  H  H72  1  0.03304877  0.63683925  0.08085237  1
  H  H73  1  0.53307317  0.86312700  0.41913588  1
  C  C74  1  0.82896570  0.13020430  0.85596273  1
  C  C75  1  0.32898897  0.36978357  0.64404211  1
  C  C76  1  0.17089359  0.87020123  0.14416942  1
  C  C77  1  0.67090375  0.62976934  0.35581750  1
  C  C78  1  0.13716168  0.23660374  0.95321708  1
  C  C79  1  0.63716700  0.26338985  0.54677294  1
  C  C80  1  0.86274791  0.76322411  0.04681072  1
  C  C81  1  0.36274559  0.73676724  0.45318275  1
  C  C82  1  0.67466436  0.33551025  0.98873462  1
  C  C83  1  0.17465155  0.16449068  0.51128562  1
  C  C84  1  0.32517188  0.66469516  0.01154043  1
  C  C85  1  0.82514151  0.83528734  0.48844961  1
  C  C86  1  0.75511999  0.22862465  0.02759004  1
  C  C87  1  0.25513123  0.27135594  0.47242110  1
  C  C88  1  0.24490833  0.77157858  0.97244948  1
  C  C89  1  0.74491489  0.72839949  0.52754524  1
  C  C90  1  0.72983958  0.23342046  0.81968694  1
  C  C91  1  0.22984213  0.26659070  0.68032900  1
  C  C92  1  0.26986977  0.76696235  0.18049638  1
  C  C93  1  0.76985601  0.73302404  0.31949199  1
  C  C94  1  0.98705293  0.29625260  0.97313003  1
  C  C95  1  0.48706105  0.20372696  0.52686826  1
  C  C96  1  0.01292853  0.70384007  0.02690711  1
  C  C97  1  0.51292893  0.79613722  0.47308420  1
  N  N98  1  0.88002736  0.18056374  0.96100204  1
  N  N99  1  0.38003411  0.31940683  0.53900744  1
  N  N100  1  0.11980085  0.81982057  0.03900869  1
  N  N101  1  0.61980160  0.68014250  0.46098389  1
  N  N102  1  0.17292342  0.14330116  0.02022802  1
  N  N103  1  0.67292519  0.35672231  0.47978136  1
  N  N104  1  0.82699777  0.85654717  0.97985233  1
  N  N105  1  0.32699666  0.64347714  0.52016662  1
  N  N106  1  0.61601886  0.28891826  0.89338932  1
  N  N107  1  0.11601814  0.21109479  0.60662467  1
  N  N108  1  0.38373717  0.71130867  0.10683452  1
  N  N109  1  0.88371266  0.78869688  0.39315779  1
  O  O110  1  0.04517875  0.94747684  0.86930973  1
  O  O111  1  0.54521979  0.55260740  0.63067117  1
  O  O112  1  0.95450025  0.05250901  0.13078826  1
  O  O113  1  0.45451401  0.44756838  0.36920341  1
  O  O114  1  0.00407190  0.96403133  0.65505814  1
  O  O115  1  0.50404680  0.53598237  0.84494989  1
  O  O116  1  0.99620667  0.03643819  0.34524335  1
  O  O117  1  0.49624006  0.46353855  0.15473648  1
  O  O118  1  0.90007441  0.40935067  0.64868820  1
  O  O119  1  0.40006821  0.09065841  0.85129677  1
  O  O120  1  0.09990618  0.59077131  0.35147229  1
  O  O121  1  0.59991297  0.90925842  0.14854152  1
  O  O122  1  0.05067318  0.65516305  0.67213038  1
  O  O123  1  0.55069353  0.84487092  0.82788955  1
  O  O124  1  0.94920922  0.34511886  0.32790237  1
  O  O125  1  0.44921418  0.15491651  0.17209894  1
  O  O126  1  0.30079656  0.84048051  0.71683868  1
  O  O127  1  0.80078755  0.65950094  0.78317543  1
  O  O128  1  0.69925613  0.15938045  0.28314009  1
  O  O129  1  0.19926852  0.34066218  0.21686224  1
  O  O130  1  0.03246414  0.51897551  0.82905687  1
  O  O131  1  0.53246433  0.98099822  0.67093263  1
  O  O132  1  0.96773267  0.48134339  0.17102682  1
  O  O133  1  0.46771955  0.01869366  0.32897871  1
