# generated using pymatgen
data_MnH20C20(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08686479
_cell_length_b   12.20377260
_cell_length_c   11.40308078
_cell_angle_alpha   79.80252232
_cell_angle_beta   80.93782904
_cell_angle_gamma   70.86102667
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH20C20(N2O)4
_chemical_formula_sum   'Mn2 H40 C40 N16 O8'
_cell_volume   1040.37093877
_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  0.00000009  -0.00000143  -0.00000047  1
  Mn  Mn1  1  0.49999805  0.50000306  0.50000073  1
  H  H2  1  0.22793315  0.43686821  0.83214816  1
  H  H3  1  0.77206716  0.56313118  0.16785463  1
  H  H4  1  0.82597048  0.37018664  0.10368739  1
  H  H5  1  0.17403131  0.62981249  0.89631544  1
  H  H6  1  0.69886581  0.09720023  0.82706135  1
  H  H7  1  0.30113715  0.90279939  0.17293710  1
  H  H8  1  0.65373817  0.10244254  0.19185636  1
  H  H9  1  0.34626269  0.89755768  0.80814111  1
  H  H10  1  0.33291394  0.21246964  0.11791440  1
  H  H11  1  0.66708639  0.78752874  0.88208244  1
  H  H12  1  0.37013179  0.18769864  0.88250829  1
  H  H13  1  0.62987014  0.81229848  0.11748876  1
  H  H14  1  0.08553817  0.15950245  0.75617692  1
  H  H15  1  0.91446132  0.84049907  0.24382588  1
  H  H16  1  0.97440772  0.84173341  0.81127583  1
  H  H17  1  0.02560036  0.15826488  0.18871623  1
  H  H18  1  0.10160407  0.87573218  0.57906357  1
  H  H19  1  0.89840784  0.12427234  0.42093004  1
  H  H20  1  0.14833259  0.08826667  0.54556505  1
  H  H21  1  0.85167344  0.91173899  0.45443613  1
  H  H22  1  0.43121637  0.19019908  0.36730924  1
  H  H23  1  0.56878226  0.80980511  0.63268895  1
  H  H24  1  0.61740218  0.98092387  0.69344208  1
  H  H25  1  0.38260274  0.01907893  0.30655441  1
  H  H26  1  0.36978614  0.69990849  0.28118134  1
  H  H27  1  0.63020719  0.30009522  0.71882022  1
  H  H28  1  0.55501870  0.33699342  0.29593818  1
  H  H29  1  0.44498482  0.66301086  0.70406496  1
  H  H30  1  0.41490410  0.42147030  0.08574078  1
  H  H31  1  0.58509815  0.57853058  0.91426265  1
  H  H32  1  0.30659621  0.65729559  0.07755959  1
  H  H33  1  0.69339825  0.34270552  0.92244351  1
  H  H34  1  0.20574004  0.39464874  0.64773815  1
  H  H35  1  0.79426832  0.60535387  0.35225786  1
  H  H36  1  0.14924440  0.72555278  0.46279965  1
  H  H37  1  0.85074579  0.27445171  0.53720205  1
  H  H38  1  0.82613986  0.71923998  0.56514772  1
  H  H39  1  0.17385106  0.28075502  0.43485408  1
  H  H40  1  0.87981109  0.50630783  0.69795905  1
  H  H41  1  0.12019297  0.49368625  0.30204186  1
  C  C42  1  0.04581220  0.27718538  0.91215557  1
  C  C43  1  0.95418747  0.72281467  0.08784623  1
  C  C44  1  0.02589167  0.39027676  0.95997945  1
  C  C45  1  0.97410923  0.60972285  0.04002286  1
  C  C46  1  0.12533057  0.46418236  0.90500607  1
  C  C47  1  0.87467032  0.53581705  0.09499682  1
  C  C48  1  0.90252674  0.42709933  0.05745507  1
  C  C49  1  0.09747440  0.57290017  0.94254742  1
  C  C50  1  0.61804971  0.11164671  0.10237395  1
  C  C51  1  0.38195084  0.88835174  0.89762402  1
  C  C52  1  0.45224446  0.16759477  0.06442100  1
  C  C53  1  0.54775623  0.83240355  0.93557649  1
  C  C54  1  0.46980728  0.15693873  0.94406817  1
  C  C55  1  0.53019381  0.84305904  0.05592938  1
  C  C56  1  0.01043542  0.91730237  0.76506710  1
  C  C57  1  0.98957092  0.08269775  0.23492768  1
  C  C58  1  0.07477474  0.93525291  0.64574716  1
  C  C59  1  0.92523329  0.06475043  0.35424814  1
  C  C60  1  0.10420812  0.04264238  0.62870850  1
  C  C61  1  0.89579664  0.95736140  0.37129092  1
  C  C62  1  0.54947814  0.20479961  0.57560802  1
  C  C63  1  0.45051923  0.79520450  0.42439153  1
  C  C64  1  0.52354765  0.09964435  0.53640220  1
  C  C65  1  0.47645416  0.90035913  0.46359538  1
  C  C66  1  0.45917109  0.10717021  0.42706247  1
  C  C67  1  0.54083117  0.89283344  0.57293504  1
  C  C68  1  0.56486314  0.99045717  0.60840654  1
  C  C69  1  0.43513990  0.00954625  0.39159066  1
  C  C70  1  0.49051676  0.42749071  0.26275571  1
  C  C71  1  0.50948323  0.57251318  0.73724701  1
  C  C72  1  0.42463461  0.47159327  0.15321018  1
  C  C73  1  0.57536548  0.52840880  0.84679229  1
  C  C74  1  0.36316685  0.59204490  0.15023034  1
  C  C75  1  0.63682892  0.40795600  0.84977291  1
  C  C76  1  0.11694779  0.65443769  0.52276762  1
  C  C77  1  0.88304409  0.34556634  0.47723502  1
  C  C78  1  0.95190762  0.65194011  0.57770342  1
  C  C79  1  0.04808667  0.34805866  0.42229859  1
  C  C80  1  0.97684521  0.54251110  0.64388301  1
  C  C81  1  0.02315529  0.45748697  0.35611884  1
  N  N82  1  0.73343411  0.06857563  0.00988765  1
  N  N83  1  0.26656660  0.93142177  0.99011081  1
  N  N84  1  0.63858729  0.09550187  0.91334563  1
  N  N85  1  0.36141394  0.90449555  0.08665256  1
  N  N86  1  0.00166187  1.00938464  0.81979203  1
  N  N87  1  0.99833852  -0.00938511  0.18020579  1
  N  N88  1  0.06130460  0.08540676  0.73365418  1
  N  N89  1  0.93869576  0.91459500  0.26634612  1
  N  N90  1  0.46574058  0.51683065  0.32599584  1
  N  N91  1  0.53425510  0.48317438  0.67400743  1
  N  N92  1  0.38528880  0.61709991  0.25569630  1
  N  N93  1  0.61470319  0.38290385  0.74430692  1
  N  N94  1  0.23827820  0.55027652  0.55249494  1
  N  N95  1  0.76171859  0.44972970  0.44750677  1
  N  N96  1  0.14969416  0.48354272  0.62931750  1
  N  N97  1  0.85030840  0.51646004  0.37068524  1
  O  O98  1  0.99543755  0.19725159  0.98091451  1
  O  O99  1  0.00456230  0.80274826  0.01908722  1
  O  O100  1  0.11132160  0.27101578  0.80315058  1
  O  O101  1  0.88867794  0.72898517  0.19685115  1
  O  O102  1  0.48162967  0.30634725  0.51992514  1
  O  O103  1  0.51836552  0.69365702  0.48007609  1
  O  O104  1  0.64114794  0.18337387  0.66307104  1
  O  O105  1  0.35884852  0.81662984  0.33692932  1
