# generated using pymatgen
data_Mn2FeCo2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36283360
_cell_length_b   9.71813066
_cell_length_c   13.65216257
_cell_angle_alpha   103.50128900
_cell_angle_beta   90.00000560
_cell_angle_gamma   90.00012456
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeCo2H32C12(NO2)6
_chemical_formula_sum   'Mn4 Fe2 Co4 H64 C24 N12 O24'
_cell_volume   1207.87129326
_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  0.09103514  0.86135807  0.73298319  1
  Mn  Mn1  1  0.59103468  0.63863754  0.76701836  1
  Mn  Mn2  1  0.90893321  0.13867015  0.26697871  1
  Mn  Mn3  1  0.40892968  0.36133333  0.23302310  1
  Co  Co4  1  0.93665523  0.55847131  0.73124205  1
  Co  Co5  1  0.43665485  0.94152360  0.76875843  1
  Co  Co6  1  0.06335157  0.44152878  0.26875789  1
  Co  Co7  1  0.56335148  0.05847647  0.23124081  1
  Fe  Fe8  1  0.00008098  0.99989910  1.00003966  1
  Fe  Fe9  1  0.50008414  0.50010338  0.49995915  1
  H  H10  1  0.19432967  0.19484601  0.08740802  1
  H  H11  1  0.69433107  0.30515476  0.41258873  1
  H  H12  1  0.80570608  0.80512734  0.91260211  1
  H  H13  1  0.30570974  0.69487510  0.58739926  1
  H  H14  1  0.27787665  0.09734629  0.98608417  1
  H  H15  1  0.77787853  0.40265451  0.51391108  1
  H  H16  1  0.72217734  0.90266058  0.01392427  1
  H  H17  1  0.22218101  0.59733741  0.48607907  1
  H  H18  1  0.57735424  0.38267871  0.86988357  1
  H  H19  1  0.07735631  0.11731813  0.63011738  1
  H  H20  1  0.42263674  0.61732239  0.13011869  1
  H  H21  1  0.92263447  0.88268182  0.36988095  1
  H  H22  1  0.47279896  0.16383930  0.88229504  1
  H  H23  1  -0.02720025  0.33615471  0.61770720  1
  H  H24  1  0.52720280  0.83616095  0.11770306  1
  H  H25  1  1.02720294  0.66384441  0.38229472  1
  H  H26  1  0.75716479  0.03363881  0.85279601  1
  H  H27  1  0.25716630  0.46635831  0.64720516  1
  H  H28  1  0.24284596  0.96637418  0.14722164  1
  H  H29  1  0.74284655  0.53362793  0.35277558  1
  H  H30  1  0.90928971  0.09348248  0.79741440  1
  H  H31  1  0.40929166  0.40651596  0.70258709  1
  H  H32  1  0.09070504  0.90652910  0.20258934  1
  H  H33  1  0.59070390  0.59347147  0.29740922  1
  H  H34  1  0.20704507  0.33043819  0.96899992  1
  H  H35  1  0.70704750  0.16956358  0.53099627  1
  H  H36  1  0.79297191  0.66952178  0.03101420  1
  H  H37  1  0.29297286  0.83048003  0.46898780  1
  H  H38  1  0.16571623  0.18157022  0.87177954  1
  H  H39  1  0.66572058  0.31843032  0.62821767  1
  H  H40  1  0.83426529  0.81841086  0.12823214  1
  H  H41  1  0.33426078  0.68159054  0.37176918  1
  H  H42  1  0.58202075  0.36949647  0.04642615  1
  H  H43  1  0.08202062  0.13050316  0.45357533  1
  H  H44  1  0.41797466  0.63050590  0.95357200  1
  H  H45  1  0.91797403  0.86949471  0.54642680  1
  H  H46  1  0.73794398  0.44197125  0.00649188  1
  H  H47  1  0.23794483  0.05802816  0.49350829  1
  H  H48  1  0.26205369  0.55803081  0.99350552  1
  H  H49  1  0.76205274  0.94196949  0.50649445  1
  H  H50  1  0.79877366  0.26713975  0.10271384  1
  H  H51  1  0.29877301  0.23286341  0.39728735  1
  H  H52  1  0.20122207  0.73284809  0.89728546  1
  H  H53  1  0.70122304  0.76715021  0.60271349  1
  H  H54  1  0.69239255  0.13551436  0.02537571  1
  H  H55  1  0.19239370  0.36448703  0.47462799  1
  H  H56  1  0.30763196  0.86447146  0.97461036  1
  H  H57  1  0.80763367  0.63552885  0.52538749  1
  H  H58  1  0.80516081  0.32341391  0.80278044  1
  H  H59  1  0.30516341  0.17658257  0.69721922  1
  H  H60  1  0.19483324  0.67659419  0.19722187  1
  H  H61  1  0.69483090  0.82340797  0.30277790  1
  H  H62  1  0.68286616  0.18795199  0.74868078  1
  H  H63  1  0.18287021  0.31204317  0.75132109  1
  H  H64  1  0.31713592  0.81205199  0.25131915  1
  H  H65  1  0.81713359  0.68795210  0.24867932  1
  H  H66  1  0.97835966  0.41651491  0.10432054  1
  H  H67  1  0.47836124  0.08348623  0.39567900  1
  H  H68  1  0.02163656  0.58348507  0.89568813  1
  H  H69  1  0.52163458  0.91651519  0.60431152  1
  H  H70  1  0.96599187  0.37365503  0.93074632  1
  H  H71  1  0.46599663  0.12634519  0.56925272  1
  H  H72  1  0.03405172  0.62634220  0.06927080  1
  H  H73  1  0.53405374  0.87365721  0.43072718  1
  C  C74  1  0.82268374  0.12668507  0.85200757  1
  C  C75  1  0.32268541  0.37331262  0.64799363  1
  C  C76  1  0.17731705  0.87333176  0.14799945  1
  C  C77  1  0.67731639  0.62666889  0.35199939  1
  C  C78  1  0.14046844  0.23457457  0.95040635  1
  C  C79  1  0.64047074  0.26542677  0.54959084  1
  C  C80  1  0.85953829  0.76538669  0.04961089  1
  C  C81  1  0.35953823  0.73461461  0.45039035  1
  C  C82  1  0.67367443  0.34391632  0.99497371  1
  C  C83  1  0.17367518  0.15608313  0.50502745  1
  C  C84  1  0.32632100  0.65608681  0.00502456  1
  C  C85  1  0.82632031  0.84391395  0.49497463  1
  C  C86  1  0.75887864  0.22821328  0.02614361  1
  C  C87  1  0.25887890  0.27178707  0.47385823  1
  C  C88  1  0.24112394  0.77179064  0.97385244  1
  C  C89  1  0.74112433  0.72820836  0.52614622  1
  C  C90  1  0.73512759  0.24004599  0.81951741  1
  C  C91  1  0.23513001  0.25995074  0.68048359  1
  C  C92  1  0.26486936  0.75995921  0.18048338  1
  C  C93  1  0.76486771  0.74004336  0.31951563  1
  C  C94  1  0.99026686  0.27916628  0.96030646  1
  C  C95  1  0.49026900  0.22083510  0.53969366  1
  C  C96  1  0.00973276  0.72079238  0.03968175  1
  C  C97  1  0.50973292  0.77920863  0.46031834  1
  N  N98  1  0.88078529  0.17810351  0.95635926  1
  N  N99  1  0.38078689  0.32189566  0.54364156  1
  N  N100  1  0.11921879  0.82191088  0.04364941  1
  N  N101  1  0.61921883  0.67808811  0.45634919  1
  N  N102  1  0.17968152  0.13723139  0.01427280  1
  N  N103  1  0.67968345  0.36276990  0.48572419  1
  N  N104  1  0.82035697  0.86271047  0.98574655  1
  N  N105  1  0.32035985  0.63729094  0.51425445  1
  N  N106  1  0.62428576  0.29799330  0.89183967  1
  N  N107  1  0.12428701  0.20200425  0.60816173  1
  N  N108  1  0.37570959  0.70200615  0.10815930  1
  N  N109  1  0.87570784  0.79799668  0.39183954  1
  O  O110  1  0.05465467  0.90767819  0.86239710  1
  O  O111  1  0.55464996  0.59231469  0.63760454  1
  O  O112  1  0.94511276  0.09251883  0.13753031  1
  O  O113  1  0.44509851  0.40747841  0.36247353  1
  O  O114  1  0.01253861  0.97486255  0.67400826  1
  O  O115  1  0.51253568  0.52513620  0.82599460  1
  O  O116  1  0.98746113  0.02511680  0.32590871  1
  O  O117  1  0.48746420  0.47488876  0.17409791  1
  O  O118  1  0.89280895  0.40561877  0.62746124  1
  O  O119  1  0.39280933  0.09437441  0.87254145  1
  O  O120  1  0.10719725  0.59438360  0.37253465  1
  O  O121  1  0.60719616  0.90562257  0.12746239  1
  O  O122  1  0.03709735  0.68765246  0.67655930  1
  O  O123  1  0.53710174  0.81234486  0.82343997  1
  O  O124  1  0.96290093  0.31235611  0.32344999  1
  O  O125  1  0.46289791  0.18764783  0.17655042  1
  O  O126  1  0.27493613  0.84501494  0.70769794  1
  O  O127  1  0.77493551  0.65497820  0.79230324  1
  O  O128  1  0.72503922  0.15500893  0.29233497  1
  O  O129  1  0.22503779  0.34499703  0.20766035  1
  O  O130  1  0.03231552  0.50413832  0.83647045  1
  O  O131  1  0.53231011  0.99586122  0.66352941  1
  O  O132  1  0.96769266  0.49587361  0.16352861  1
  O  O133  1  0.46769846  0.00412758  0.33647085  1
