# generated using pymatgen
data_MnCoH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06093888
_cell_length_b   12.23174277
_cell_length_c   11.36304285
_cell_angle_alpha   79.71568810
_cell_angle_beta   80.91145678
_cell_angle_gamma   70.74644370
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoH40C40(N2O)8
_chemical_formula_sum   'Mn1 Co1 H40 C40 N16 O8'
_cell_volume   1034.79169961
_cell_formula_units_Z   1
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  -0.00000161  0.00000611  -0.00000228  1
  Co  Co1  1  0.49998527  0.50041303  0.49995684  1
  H  H2  1  0.23432419  0.43574255  0.83472264  1
  H  H3  1  0.76567638  0.56425279  0.16527723  1
  H  H4  1  0.81669803  0.37372123  0.09652604  1
  H  H5  1  0.18330662  0.62627300  0.90347615  1
  H  H6  1  0.69882277  0.09837099  0.82556454  1
  H  H7  1  0.30116656  0.90163780  0.17442700  1
  H  H8  1  0.65172898  0.10161035  0.19244729  1
  H  H9  1  0.34827511  0.89839136  0.80754623  1
  H  H10  1  0.33057229  0.21262085  0.11754454  1
  H  H11  1  0.66942802  0.78737643  0.88245650  1
  H  H12  1  0.36989239  0.19058470  0.88028791  1
  H  H13  1  0.63010190  0.80941519  0.11970987  1
  H  H14  1  0.08999999  0.15731835  0.75636526  1
  H  H15  1  0.90999895  0.84268735  0.24363571  1
  H  H16  1  0.97561244  0.84122022  0.81187722  1
  H  H17  1  0.02439364  0.15877990  0.18811435  1
  H  H18  1  0.09875406  0.87658344  0.57793493  1
  H  H19  1  0.90125146  0.12342414  0.42205798  1
  H  H20  1  0.15026316  0.08723160  0.54508493  1
  H  H21  1  0.84974624  0.91277454  0.45491798  1
  H  H22  1  0.42516673  0.19400469  0.37354652  1
  H  H23  1  0.57484580  0.80593097  0.62647607  1
  H  H24  1  0.62212431  0.97463723  0.69422230  1
  H  H25  1  0.37790069  0.02530053  0.30578917  1
  H  H26  1  0.37014613  0.69803358  0.28888207  1
  H  H27  1  0.62984045  0.30194506  0.71111023  1
  H  H28  1  0.55810667  0.33475360  0.30688420  1
  H  H29  1  0.44186180  0.66523939  0.69311658  1
  H  H30  1  0.42315377  0.41846586  0.09347507  1
  H  H31  1  0.57685713  0.58152286  0.90652527  1
  H  H32  1  0.31241378  0.65368461  0.08457787  1
  H  H33  1  0.68758566  0.34631260  0.91543114  1
  H  H34  1  0.22364176  0.39060712  0.63667246  1
  H  H35  1  0.77653997  0.60941479  0.36321139  1
  H  H36  1  0.16027826  0.72411217  0.45910769  1
  H  H37  1  0.83963146  0.27592616  0.54087379  1
  H  H38  1  0.83851806  0.71666459  0.56612390  1
  H  H39  1  0.16143163  0.28330792  0.43392534  1
  H  H40  1  0.89566682  0.50146186  0.69444079  1
  H  H41  1  0.10442559  0.49848284  0.30557255  1
  C  C42  1  0.04686369  0.27794235  0.91055765  1
  C  C43  1  0.95313417  0.72205313  0.08944467  1
  C  C44  1  0.02589613  0.39113370  0.95849070  1
  C  C45  1  0.97410802  0.60886067  0.04151203  1
  C  C46  1  0.12955955  0.46336306  0.90683486  1
  C  C47  1  0.87044440  0.53663123  0.09316729  1
  C  C48  1  0.89752737  0.42906311  0.05365894  1
  C  C49  1  0.10247740  0.57093088  0.94634358  1
  C  C50  1  0.61665914  0.11140324  0.10242559  1
  C  C51  1  0.38334228  0.88859764  0.89757014  1
  C  C52  1  0.45058781  0.16808112  0.06384863  1
  C  C53  1  0.54941023  0.83191603  0.93614876  1
  C  C54  1  0.46912160  0.15845694  0.94281420  1
  C  C55  1  0.53087383  0.84153934  0.05718492  1
  C  C56  1  0.01192279  0.91657974  0.76536948  1
  C  C57  1  0.98808856  0.08342123  0.23462585  1
  C  C58  1  0.07525585  0.93487641  0.64542545  1
  C  C59  1  0.92475581  0.06512678  0.35457185  1
  C  C60  1  0.10649522  0.04147622  0.62855206  1
  C  C61  1  0.89351479  0.95852756  0.37144822  1
  C  C62  1  0.54135580  0.20079232  0.58391254  1
  C  C63  1  0.45854693  0.79919833  0.41612033  1
  C  C64  1  0.52193513  0.09700775  0.54024669  1
  C  C65  1  0.47810202  0.90293212  0.45975951  1
  C  C66  1  0.45547702  0.10918561  0.43022593  1
  C  C67  1  0.54456377  0.89074630  0.56978417  1
  C  C68  1  0.56740104  0.98646809  0.60920228  1
  C  C69  1  0.43264480  0.01346823  0.39080082  1
  C  C70  1  0.49221580  0.42498671  0.27323215  1
  C  C71  1  0.50779755  0.57501152  0.72677198  1
  C  C72  1  0.43007818  0.46867988  0.16179744  1
  C  C73  1  0.56993755  0.53130802  0.83820216  1
  C  C74  1  0.36771232  0.58888905  0.15824749  1
  C  C75  1  0.63228352  0.41109860  0.84175770  1
  C  C76  1  0.12990746  0.65255091  0.51943717  1
  C  C77  1  0.87003151  0.34749160  0.48056686  1
  C  C78  1  0.96525454  0.64912168  0.57643165  1
  C  C79  1  0.03471059  0.35086424  0.42357616  1
  C  C80  1  0.99199248  0.53874576  0.64047080  1
  C  C81  1  0.00806127  0.46121939  0.35951970  1
  N  N82  1  0.73292551  0.06883882  0.00944118  1
  N  N83  1  0.26707436  0.93116633  0.99055048  1
  N  N84  1  0.63846193  0.09662233  0.91221807  1
  N  N85  1  0.36153368  0.90338063  0.08777560  1
  N  N86  1  0.00445636  1.00818622  0.82024168  1
  N  N87  1  0.99555125  -0.00818702  0.17975683  1
  N  N88  1  0.06554528  0.08352049  0.73409184  1
  N  N89  1  0.93446391  0.91647966  0.26591079  1
  N  N90  1  0.46479735  0.51503078  0.33613773  1
  N  N91  1  0.53519304  0.48498198  0.66386899  1
  N  N92  1  0.38653722  0.61473495  0.26471450  1
  N  N93  1  0.61344638  0.38525978  0.73528458  1
  N  N94  1  0.25198356  0.54741568  0.54646047  1
  N  N95  1  0.74802294  0.45266757  0.45353172  1
  N  N96  1  0.16577161  0.47961832  0.62362718  1
  N  N97  1  0.83430692  0.52039587  0.37633000  1
  O  O98  1  0.99271965  0.19932253  0.97898090  1
  O  O99  1  0.00727719  0.80067291  0.02102698  1
  O  O100  1  0.11725981  0.27025984  0.80234201  1
  O  O101  1  0.88272862  0.72973684  0.19766290  1
  O  O102  1  0.45186483  0.30171459  0.53891313  1
  O  O103  1  0.54786660  0.69824503  0.46122588  1
  O  O104  1  0.64850000  0.17957353  0.66288873  1
  O  O105  1  0.35154509  0.82043562  0.33706741  1
