# generated using pymatgen
data_MnH20C26S2(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.02324700
_cell_length_b   11.11929343
_cell_length_c   11.70395040
_cell_angle_alpha   62.91268503
_cell_angle_beta   79.16521204
_cell_angle_gamma   77.39386326
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH20C26S2(NO2)2
_chemical_formula_sum   'Mn2 H40 C52 S4 N4 O8'
_cell_volume   1239.92322896
_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  0.81217623  0.22119487  0.32712805  1
  Mn  Mn1  1  0.18782519  0.77880620  0.67286770  1
  H  H2  1  0.74712603  0.43420273  0.43224799  1
  H  H3  1  0.25287521  0.56579276  0.56775667  1
  H  H4  1  0.58897197  0.63761261  0.41210221  1
  H  H5  1  0.41102804  0.36238061  0.58790685  1
  H  H6  1  0.41442944  0.56202638  0.15093469  1
  H  H7  1  0.58557425  0.43797655  0.84906576  1
  H  H8  1  0.57759890  0.36029842  0.18549944  1
  H  H9  1  0.42240569  0.63970553  0.81449739  1
  H  H10  1  0.22507542  0.87961822  0.14133373  1
  H  H11  1  0.77492873  0.12038003  0.85866504  1
  H  H12  1  0.34536057  0.79855085  0.06395950  1
  H  H13  1  0.65464490  0.20144415  0.93604249  1
  H  H14  1  0.15662978  0.63639091  0.38515555  1
  H  H15  1  0.84337148  0.36361033  0.61484450  1
  H  H16  1  0.03747199  0.44703329  0.43705850  1
  H  H17  1  0.96253115  0.55296630  0.56294455  1
  H  H18  1  0.09552409  0.52468986  0.03641008  1
  H  H19  1  0.90448036  0.47530447  0.96359427  1
  H  H20  1  0.23495636  0.68994683  0.99124899  1
  H  H21  1  0.76504705  0.31004874  0.00875370  1
  H  H22  1  0.58143057  0.08043044  0.47826250  1
  H  H23  1  0.41856878  0.91958117  0.52172901  1
  H  H24  1  0.52481935  0.89328523  0.69034134  1
  H  H25  1  0.47517625  0.10672777  0.30964932  1
  H  H26  1  0.88741363  0.87759360  0.79855540  1
  H  H27  1  0.11258040  0.12241505  0.20144173  1
  H  H28  1  0.92659007  0.06497275  0.58383751  1
  H  H29  1  0.07340835  0.93503498  0.41615916  1
  H  H30  1  0.76510015  0.60414324  0.08372245  1
  H  H31  1  0.23489205  0.39585856  0.91626930  1
  H  H32  1  0.86882756  0.69054097  0.94783609  1
  H  H33  1  0.13116471  0.30946439  0.05215752  1
  H  H34  1  0.97983812  0.78320945  0.03860002  1
  H  H35  1  0.02015636  0.21677827  0.96140884  1
  H  H36  1  0.98092306  0.93137637  0.14541478  1
  H  H37  1  0.01907495  0.06860841  0.85459617  1
  H  H38  1  0.57868985  0.01217837  0.17587019  1
  H  H39  1  0.42130838  0.98782169  0.82413141  1
  H  H40  1  0.57669079  0.85738839  0.07612481  1
  H  H41  1  0.42330420  0.14261349  0.92387585  1
  C  C42  1  0.67065107  0.46480082  0.37309531  1
  C  C43  1  0.32935118  0.53519586  0.62690874  1
  C  C44  1  0.58215760  0.57898580  0.36102948  1
  C  C45  1  0.41784405  0.42101047  0.63897698  1
  C  C46  1  0.48633890  0.61379103  0.28251486  1
  C  C47  1  0.51366324  0.38620799  0.71748894  1
  C  C48  1  0.48393663  0.53645096  0.21634812  1
  C  C49  1  0.51606729  0.46355024  0.78365333  1
  C  C50  1  0.57593320  0.42343010  0.23484443  1
  C  C51  1  0.42407016  0.57657167  0.76515474  1
  C  C52  1  0.28394505  0.78200803  0.15364231  1
  C  C53  1  0.71605896  0.21798957  0.84635816  1
  C  C54  1  0.20597399  0.67319124  0.18627581  1
  C  C55  1  0.79402956  0.32680652  0.81372491  1
  C  C56  1  0.14676482  0.60728435  0.31029284  1
  C  C57  1  0.85323805  0.39271622  0.68970831  1
  C  C58  1  0.07782484  0.50437913  0.33865494  1
  C  C59  1  0.92217778  0.49561984  0.66134803  1
  C  C60  1  0.05853236  0.47418422  0.24038761  1
  C  C61  1  0.94147103  0.52581331  0.75961662  1
  C  C62  1  0.11308394  0.54424863  0.11455969  1
  C  C63  1  0.88691898  0.45574769  0.88544348  1
  C  C64  1  0.18952252  0.63960949  0.08904887  1
  C  C65  1  0.81047984  0.36038768  0.91095293  1
  C  C66  1  0.97649755  0.37266217  0.26976227  1
  C  C67  1  0.02350670  0.62733337  0.73024302  1
  C  C68  1  0.64662907  0.03176078  0.55154952  1
  C  C69  1  0.35336928  0.96825020  0.44844285  1
  C  C70  1  0.61500244  0.92745907  0.67082633  1
  C  C71  1  0.38499360  0.07255256  0.32916556  1
  C  C72  1  0.70205127  0.86962805  0.76251851  1
  C  C73  1  0.29794321  0.13038177  0.23747516  1
  C  C74  1  0.81646127  0.91797517  0.73195397  1
  C  C75  1  0.18353476  0.08203296  0.26804213  1
  C  C76  1  0.83948484  0.02298351  0.61019889  1
  C  C77  1  0.16051294  0.97702435  0.38979682  1
  C  C78  1  0.77917506  0.70403148  0.00347518  1
  C  C79  1  0.22081713  0.29597209  0.99651984  1
  C  C80  1  0.77752942  0.80575193  0.05536695  1
  C  C81  1  0.22246474  0.19424656  0.94463365  1
  C  C82  1  0.89117821  0.83025306  0.07147597  1
  C  C83  1  0.10881731  0.16973880  0.92853014  1
  C  C84  1  0.89308678  0.91456143  0.12906016  1
  C  C85  1  0.10691038  0.08542837  0.87094695  1
  C  C86  1  0.78045030  0.97894217  0.16809647  1
  C  C87  1  0.21954765  0.02105357  0.83190600  1
  C  C88  1  0.66638596  0.96036137  0.14676209  1
  C  C89  1  0.33361178  0.03963710  0.85323971  1
  C  C90  1  0.66564946  0.87350132  0.09127649  1
  C  C91  1  0.33434585  0.12649862  0.90872456  1
  C  C92  1  0.78452084  0.06978180  0.22764561  1
  C  C93  1  0.21547992  0.93021588  0.77235366  1
  S  S94  1  0.37709250  0.75288322  0.27719923  1
  S  S95  1  0.62290860  0.24711486  0.72280405  1
  S  S96  1  0.65405028  0.74043231  0.90723063  1
  S  S97  1  0.34594182  0.25957811  0.09276238  1
  N  N98  1  0.66619555  0.38707986  0.31314566  1
  N  N99  1  0.33380726  0.61291988  0.68685502  1
  N  N100  1  0.75739265  0.07782622  0.52085686  1
  N  N101  1  0.24260693  0.92218217  0.47913779  1
  O  O102  1  0.94493805  0.29574602  0.38809483  1
  O  O103  1  0.05506680  0.70424868  0.61190929  1
  O  O104  1  0.93539321  0.36672792  0.17742889  1
  O  O105  1  0.06460999  0.63326787  0.82257767  1
  O  O106  1  0.89100764  0.07410562  0.25338374  1
  O  O107  1  0.10899288  0.92588875  0.74661808  1
  O  O108  1  0.68477534  0.14290576  0.24957687  1
  O  O109  1  0.31522740  0.85709856  0.75041645  1
