# generated using pymatgen
data_Mn2FeNi2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35131531
_cell_length_b   9.70609108
_cell_length_c   13.64506443
_cell_angle_alpha   103.42313243
_cell_angle_beta   90.00001131
_cell_angle_gamma   90.00012441
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeNi2H32C12(NO2)6
_chemical_formula_sum   'Mn4 Fe2 Ni4 H64 C24 N12 O24'
_cell_volume   1204.65763484
_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
  Mn  Mn0  1  0.09610494  0.86068868  0.73358216  1
  Mn  Mn1  1  0.59610681  0.63930479  0.76641767  1
  Mn  Mn2  1  0.90388884  0.13931068  0.26641536  1
  Mn  Mn3  1  0.40388585  0.36069673  0.23358618  1
  Ni  Ni4  1  0.94536125  0.55028030  0.73048820  1
  Ni  Ni5  1  0.44536197  0.94971223  0.76951238  1
  Ni  Ni6  1  0.05463802  0.44972290  0.26951221  1
  Ni  Ni7  1  0.55463707  0.05028602  0.23048714  1
  Fe  Fe8  1  0.00000992  1.00000102  1.00000188  1
  Fe  Fe9  1  0.50001265  0.49999983  0.49999766  1
  H  H10  1  0.19444180  0.19442687  0.08809475  1
  H  H11  1  0.69444154  0.30557362  0.41190278  1
  H  H12  1  0.80556135  0.80557548  0.91190659  1
  H  H13  1  0.30556416  0.69442512  0.58809599  1
  H  H14  1  0.27921920  0.09858006  0.98534528  1
  H  H15  1  0.77922089  0.40141904  0.51465418  1
  H  H16  1  0.72078638  0.90142182  0.01465509  1
  H  H17  1  0.22078714  0.59857939  0.48534580  1
  H  H18  1  0.58373977  0.38320832  0.86812419  1
  H  H19  1  0.08374277  0.11678688  0.63187780  1
  H  H20  1  0.41625947  0.61679236  0.13187674  1
  H  H21  1  0.91625683  0.88321278  0.36812080  1
  H  H22  1  0.47328486  0.16333515  0.89261320  1
  H  H23  1  -0.02671820  0.33665652  0.60739180  1
  H  H24  1  0.52671383  0.83666772  0.10738671  1
  H  H25  1  1.02671894  0.66334185  0.39260854  1
  H  H26  1  0.76369161  0.03134887  0.85148102  1
  H  H27  1  0.26369202  0.46864744  0.64852186  1
  H  H28  1  0.23630993  0.96865263  0.14851950  1
  H  H29  1  0.73631062  0.53135061  0.35147839  1
  H  H30  1  0.91658451  0.09467981  0.79933140  1
  H  H31  1  0.41658632  0.40531833  0.70067088  1
  H  H32  1  0.08341637  0.90532284  0.20066874  1
  H  H33  1  0.58341590  0.59467768  0.29932909  1
  H  H34  1  0.20845075  0.33110664  0.96923225  1
  H  H35  1  0.70845082  0.16889279  0.53076498  1
  H  H36  1  0.79155068  0.66889177  0.03076707  1
  H  H37  1  0.29155093  0.83110854  0.46923441  1
  H  H38  1  0.16965298  0.18099943  0.87288310  1
  H  H39  1  0.66965798  0.31900010  0.62711497  1
  H  H40  1  0.83034885  0.81899759  0.12711715  1
  H  H41  1  0.33034572  0.68100199  0.37288458  1
  H  H42  1  0.58180065  0.36686923  0.04375678  1
  H  H43  1  0.08180051  0.13312893  0.45624604  1
  H  H44  1  0.41819937  0.63313001  0.95624374  1
  H  H45  1  0.91819954  0.86687362  0.54375308  1
  H  H46  1  0.73913049  0.44235765  0.00898643  1
  H  H47  1  0.23913130  0.05764059  0.49101483  1
  H  H48  1  0.26086869  0.55764325  0.99101410  1
  H  H49  1  0.76086751  0.94235900  0.50898346  1
  H  H50  1  0.79712442  0.26508109  0.10316932  1
  H  H51  1  0.29712277  0.23491968  0.39683318  1
  H  H52  1  0.20287565  0.73491764  0.89683019  1
  H  H53  1  0.70287768  0.76508332  0.60316748  1
  H  H54  1  0.69336710  0.13345636  0.02335485  1
  H  H55  1  0.19336631  0.36654293  0.47664936  1
  H  H56  1  0.30663408  0.86654347  0.97664326  1
  H  H57  1  0.80663587  0.63345863  0.52335344  1
  H  H58  1  0.81078597  0.32074330  0.80060438  1
  H  H59  1  0.31078964  0.17925221  0.69939674  1
  H  H60  1  0.18921440  0.67925963  0.19939734  1
  H  H61  1  0.68921226  0.82074235  0.30059949  1
  H  H62  1  0.68740149  0.18459976  0.74837315  1
  H  H63  1  0.18740539  0.31539467  0.75162966  1
  H  H64  1  0.31260052  0.81540284  0.25162719  1
  H  H65  1  0.81259919  0.68460014  0.24837005  1
  H  H66  1  0.97155309  0.41980168  0.10471772  1
  H  H67  1  0.47155374  0.08020220  0.39528148  1
  H  H68  1  0.02844456  0.58020336  0.89528292  1
  H  H69  1  0.52844235  0.91979272  0.60471671  1
  H  H70  1  0.96821528  0.37418322  0.92892043  1
  H  H71  1  0.46821795  0.12581605  0.57107998  1
  H  H72  1  0.03178758  0.62581715  0.07108032  1
  H  H73  1  0.53178623  0.87418305  0.42891766  1
  C  C74  1  0.82780512  0.12589288  0.85232872  1
  C  C75  1  0.32780664  0.37410438  0.64767376  1
  C  C76  1  0.17219594  0.87410890  0.14767163  1
  C  C77  1  0.67219580  0.62589320  0.35232627  1
  C  C78  1  0.14200509  0.23492117  0.95081070  1
  C  C79  1  0.64200654  0.26507899  0.54918765  1
  C  C80  1  0.85799690  0.76507733  0.04918930  1
  C  C81  1  0.35799686  0.73492294  0.45081199  1
  C  C82  1  0.67572023  0.34332133  0.99434173  1
  C  C83  1  0.17572102  0.15667663  0.50566071  1
  C  C84  1  0.32427943  0.65667901  0.00565867  1
  C  C85  1  0.82427878  0.84332385  0.49433869  1
  C  C86  1  0.75963849  0.22704301  0.02590544  1
  C  C87  1  0.25963814  0.27295635  0.47409732  1
  C  C88  1  0.24036287  0.77295721  0.97409416  1
  C  C89  1  0.74036393  0.72704433  0.52590320  1
  C  C90  1  0.74028938  0.23842685  0.81858513  1
  C  C91  1  0.24029244  0.26156884  0.68141722  1
  C  C92  1  0.25971172  0.76157510  0.18141577  1
  C  C93  1  0.75971009  0.73842772  0.31858133  1
  C  C94  1  0.99181816  0.27923909  0.95887992  1
  C  C95  1  0.49181929  0.22076081  0.54112103  1
  C  C96  1  0.00818367  0.72075971  0.04111946  1
  C  C97  1  0.50818355  0.77924145  0.45887959  1
  N  N98  1  0.88317865  0.17853836  0.95726784  1
  N  N99  1  0.38317922  0.32146126  0.54273407  1
  N  N100  1  0.11682325  0.82146229  0.04273227  1
  N  N101  1  0.61682372  0.67853876  0.45726572  1
  N  N102  1  0.17967009  0.13735329  0.01491344  1
  N  N103  1  0.67967142  0.36264698  0.48508464  1
  N  N104  1  0.82033496  0.86264617  0.98508786  1
  N  N105  1  0.32033611  0.63735457  0.51491395  1
  N  N106  1  0.63011757  0.29882824  0.89054375  1
  N  N107  1  0.13011981  0.20116780  0.60945898  1
  N  N108  1  0.36988252  0.70117196  0.10945657  1
  N  N109  1  0.86988109  0.79883212  0.39054042  1
  O  O110  1  0.05707442  0.90668581  0.86122745  1
  O  O111  1  0.55707689  0.59331045  0.63877227  1
  O  O112  1  0.94289107  0.09331099  0.13876613  1
  O  O113  1  0.44288074  0.40668993  0.36123670  1
  O  O114  1  0.01640883  0.97598681  0.67726913  1
  O  O115  1  0.51640746  0.52400493  0.82272776  1
  O  O116  1  0.98359090  0.02401304  0.32272550  1
  O  O117  1  0.48359164  0.47599900  0.17728149  1
  O  O118  1  0.89384630  0.40563533  0.61739885  1
  O  O119  1  0.39385038  0.09435462  0.88260332  1
  O  O120  1  0.10615402  0.59436337  0.38260206  1
  O  O121  1  0.60614875  0.90564742  0.11739595  1
  O  O122  1  0.03985170  0.69426998  0.67820674  1
  O  O123  1  0.53985315  0.80572284  0.82179333  1
  O  O124  1  0.96014383  0.30572971  0.32178783  1
  O  O125  1  0.46014409  0.19427979  0.17821217  1
  O  O126  1  0.27532640  0.85074902  0.70994726  1
  O  O127  1  0.77532760  0.64924398  0.79005552  1
  O  O128  1  0.72466861  0.14925112  0.29005921  1
  O  O129  1  0.22466677  0.35075440  0.20993750  1
  O  O130  1  0.03861051  0.49603800  0.83986132  1
  O  O131  1  0.53860805  1.00395743  0.66013920  1
  O  O132  1  0.96138835  0.50396620  0.16014001  1
  O  O133  1  0.46138970  -0.00396171  0.33985858  1
