# generated using pymatgen
data_MnCoH40C40(N2O)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05787933
_cell_length_b   12.23218231
_cell_length_c   11.35893741
_cell_angle_alpha   79.70633832
_cell_angle_beta   80.89780529
_cell_angle_gamma   70.73163160
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoH40C40(N2O)8
_chemical_formula_sum   'Mn1 Co1 H40 C40 N16 O8'
_cell_volume   1033.92023287
_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
  Co  Co0  1  -0.00009162  -0.00043199  0.00003684  1
  Mn  Mn1  1  0.49999443  0.50000070  0.50000154  1
  H  H2  1  0.23565417  0.43857104  0.83405238  1
  H  H3  1  0.76433181  0.56141894  0.16596196  1
  H  H4  1  0.81771358  0.37193498  0.09321844  1
  H  H5  1  0.18226110  0.62805828  0.90680270  1
  H  H6  1  0.71027523  0.09559348  0.82476583  1
  H  H7  1  0.28968077  0.90448137  0.17520159  1
  H  H8  1  0.66152969  0.09950293  0.19211448  1
  H  H9  1  0.33847700  0.90053352  0.80787070  1
  H  H10  1  0.34045852  0.20860307  0.11700821  1
  H  H11  1  0.65952297  0.79137849  0.88300651  1
  H  H12  1  0.38035458  0.18604514  0.88001059  1
  H  H13  1  0.61961404  0.81393185  0.11999507  1
  H  H14  1  0.09435948  0.15640047  0.76478317  1
  H  H15  1  0.90567199  0.84364149  0.23523374  1
  H  H16  1  0.97395956  0.84103220  0.81954002  1
  H  H17  1  0.02600655  0.15901381  0.18044298  1
  H  H18  1  0.09179639  0.87861420  0.58434844  1
  H  H19  1  0.90821748  0.12141294  0.41566756  1
  H  H20  1  0.14942838  0.08710185  0.55287267  1
  H  H21  1  0.85059164  0.91292559  0.44712210  1
  H  H22  1  0.42948810  0.19164279  0.36969864  1
  H  H23  1  0.57050966  0.80836232  0.63029883  1
  H  H24  1  0.62167350  0.97710995  0.69361095  1
  H  H25  1  0.37833246  0.02289333  0.30638417  1
  H  H26  1  0.36880147  0.69864145  0.28063893  1
  H  H27  1  0.63118728  0.30136392  0.71936012  1
  H  H28  1  0.55659705  0.33573489  0.29743439  1
  H  H29  1  0.44341089  0.66426919  0.70257309  1
  H  H30  1  0.41831778  0.41966082  0.08550622  1
  H  H31  1  0.58168940  0.58033695  0.91449710  1
  H  H32  1  0.30836174  0.65493891  0.07626155  1
  H  H33  1  0.69165841  0.34505449  0.92373031  1
  H  H34  1  0.21097174  0.39472586  0.64202951  1
  H  H35  1  0.78903056  0.60527482  0.35799489  1
  H  H36  1  0.14502025  0.72729771  0.46031345  1
  H  H37  1  0.85495928  0.27271164  0.53969770  1
  H  H38  1  0.82334982  0.71793497  0.56501318  1
  H  H39  1  0.17663891  0.28206079  0.43499000  1
  H  H40  1  0.88225342  0.50412079  0.69639026  1
  H  H41  1  0.11775186  0.49587212  0.30361372  1
  C  C42  1  0.04805436  0.28120869  0.90779295  1
  C  C43  1  0.95198404  0.71875694  0.09220867  1
  C  C44  1  0.02681268  0.39304690  0.95590454  1
  C  C45  1  0.97319263  0.60692971  0.04412108  1
  C  C46  1  0.13046409  0.46553117  0.90615855  1
  C  C47  1  0.86952543  0.53445302  0.09385581  1
  C  C48  1  0.89794348  0.42818346  0.05181701  1
  C  C49  1  0.10204312  0.57180023  0.94819595  1
  C  C50  1  0.62745049  0.10889762  0.10190138  1
  C  C51  1  0.37256441  0.89115988  0.89807627  1
  C  C52  1  0.46079624  0.16419426  0.06337075  1
  C  C53  1  0.53919341  0.83582433  0.93662884  1
  C  C54  1  0.47967494  0.15428763  0.94254516  1
  C  C55  1  0.52029990  0.84572209  0.05745683  1
  C  C56  1  0.01051013  0.91636265  0.77313266  1
  C  C57  1  0.98949471  0.08366679  0.22686597  1
  C  C58  1  0.07043949  0.93603685  0.65237901  1
  C  C59  1  0.92957834  0.06399467  0.34762435  1
  C  C60  1  0.10485357  0.04135817  0.63621034  1
  C  C61  1  0.89516771  0.95867367  0.36379439  1
  C  C62  1  0.54857427  0.20306803  0.57925642  1
  C  C63  1  0.45142175  0.79693818  0.42073986  1
  C  C64  1  0.52372729  0.09850012  0.53825062  1
  C  C65  1  0.47627227  0.90150500  0.46174648  1
  C  C66  1  0.45711361  0.10809709  0.42871525  1
  C  C67  1  0.54288936  0.89190735  0.57128059  1
  C  C68  1  0.56748673  0.98835920  0.60846705  1
  C  C69  1  0.43251760  0.01164498  0.39152830  1
  C  C70  1  0.49218387  0.42616412  0.26366795  1
  C  C71  1  0.50781787  0.57383912  0.73633809  1
  C  C72  1  0.42701983  0.46987876  0.15335188  1
  C  C73  1  0.57297778  0.53011946  0.84665473  1
  C  C74  1  0.36578626  0.59030174  0.14944969  1
  C  C75  1  0.63420537  0.40969611  0.85055356  1
  C  C76  1  0.11519497  0.65576059  0.52111775  1
  C  C77  1  0.88479497  0.34424075  0.47888597  1
  C  C78  1  0.95062670  0.65142786  0.57676956  1
  C  C79  1  0.04936468  0.34857060  0.42323500  1
  C  C80  1  0.97828522  0.54124844  0.64168587  1
  C  C81  1  0.02171402  0.45874927  0.35831738  1
  N  N82  1  0.74435001  0.06669934  0.00865147  1
  N  N83  1  0.25566871  0.93336313  0.99131421  1
  N  N84  1  0.65020599  0.09383938  0.91149317  1
  N  N85  1  0.34978378  0.90621770  0.08848463  1
  N  N86  1  0.00692560  1.00711968  0.82823738  1
  N  N87  1  0.99303894  -0.00707924  0.17173137  1
  N  N88  1  0.06944860  0.08188956  0.74308234  1
  N  N89  1  0.93061383  0.91814022  0.25692586  1
  N  N90  1  0.46771404  0.51575027  0.32626763  1
  N  N91  1  0.53227991  0.48425528  0.67373563  1
  N  N92  1  0.38793992  0.61583420  0.25491982  1
  N  N93  1  0.61204369  0.38416951  0.74508292  1
  N  N94  1  0.23888573  0.55219091  0.54980662  1
  N  N95  1  0.76110870  0.44781169  0.45019545  1
  N  N96  1  0.15235324  0.48356592  0.62595214  1
  N  N97  1  0.84764482  0.51643356  0.37404404  1
  O  O98  1  0.98346334  0.20779178  0.97526870  1
  O  O99  1  0.01664903  0.79215250  0.02469717  1
  O  O100  1  0.12752269  0.26915595  0.80159798  1
  O  O101  1  0.87254535  0.73087250  0.19837791  1
  O  O102  1  0.47259371  0.30522355  0.52789059  1
  O  O103  1  0.52740184  0.69478164  0.47210510  1
  O  O104  1  0.64749764  0.18086733  0.66330635  1
  O  O105  1  0.35250608  0.81914028  0.33668569  1
