# generated using pymatgen
data_Mn2CoH36C36S4(NO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50977531
_cell_length_b   11.11656512
_cell_length_c   11.36204796
_cell_angle_alpha   90.95802989
_cell_angle_beta   111.14658287
_cell_angle_gamma   89.46021249
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoH36C36S4(NO8)2
_chemical_formula_sum   'Mn2 Co1 H36 C36 S4 N2 O16'
_cell_volume   1002.31758204
_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  0.82572885  0.83643422  0.93257032  1
  Mn  Mn1  1  0.17426826  0.16357197  0.06742549  1
  Co  Co2  1  0.50000054  0.00000018  -0.00000377  1
  H  H3  1  0.92010720  0.01376560  0.82447451  1
  H  H4  1  0.07987765  0.98624129  0.17551386  1
  H  H5  1  0.80212213  0.93633305  0.71042872  1
  H  H6  1  0.19786687  0.06366604  0.28956312  1
  H  H7  1  0.66982663  0.52842605  0.07546642  1
  H  H8  1  0.33021077  0.47159100  0.92454245  1
  H  H9  1  0.58621739  0.35680411  0.17625897  1
  H  H10  1  0.41382012  0.64320147  0.82373840  1
  H  H11  1  0.48624688  0.39408022  0.35486335  1
  H  H12  1  0.51376865  0.60591185  0.64512441  1
  H  H13  1  0.47757100  0.60440236  0.43460688  1
  H  H14  1  0.52244039  0.39558344  0.56539456  1
  H  H15  1  0.10360536  0.87238847  0.70051299  1
  H  H16  1  0.89638703  0.12761316  0.29948845  1
  H  H17  1  0.87549788  0.86225171  0.49016073  1
  H  H18  1  0.12449639  0.13774539  0.50983975  1
  H  H19  1  0.94498831  0.83297511  0.29699491  1
  H  H20  1  0.05500995  0.16701555  0.70300827  1
  H  H21  1  0.24509767  0.81440711  0.31579020  1
  H  H22  1  0.75490201  0.18558085  0.68421627  1
  H  H23  1  0.76401094  0.19752605  0.01206205  1
  H  H24  1  0.23597227  0.80248322  0.98792734  1
  H  H25  1  0.90902161  0.70793402  0.70629027  1
  H  H26  1  0.09098452  0.29206192  0.29370656  1
  H  H27  1  0.93588148  0.57818497  0.56991256  1
  H  H28  1  0.06410489  0.42180117  0.43008496  1
  H  H29  1  0.83347285  0.43738111  0.56416891  1
  H  H30  1  0.16651459  0.56260706  0.43583948  1
  H  H31  1  0.05684396  0.44671277  0.63578720  1
  H  H32  1  0.94314397  0.55327509  0.36421465  1
  H  H33  1  0.80845907  0.43122078  0.84827440  1
  H  H34  1  0.19154722  0.56878886  0.15174356  1
  H  H35  1  0.03097411  0.44088659  0.91704043  1
  H  H36  1  0.96903322  0.55911077  0.08296242  1
  H  H37  1  0.93764961  0.34363780  0.78429364  1
  H  H38  1  0.06233356  0.65636063  0.21571167  1
  C  C39  1  0.56119235  0.68389027  0.29561117  1
  C  C40  1  0.43881580  0.31610785  0.70439468  1
  C  C41  1  0.61116634  0.66339024  0.19097999  1
  C  C42  1  0.38884642  0.33661670  0.80902674  1
  C  C43  1  0.62455913  0.54441884  0.15270337  1
  C  C44  1  0.37546795  0.45559092  0.84730151  1
  C  C45  1  0.57976346  0.44802274  0.21065708  1
  C  C46  1  0.42026328  0.55198156  0.78934018  1
  C  C47  1  0.52512799  0.46926720  0.31136060  1
  C  C48  1  0.47488843  0.53072864  0.68863289  1
  C  C49  1  0.51849416  0.58664952  0.35529937  1
  C  C50  1  0.48151646  0.41334299  0.64470062  1
  C  C51  1  0.65113323  0.76279384  0.11909894  1
  C  C52  1  0.34886785  0.23721847  0.88090775  1
  C  C53  1  0.34293843  0.83182853  0.51927275  1
  C  C54  1  0.65705848  0.16816597  0.48073274  1
  C  C55  1  0.30569485  0.84568645  0.63012743  1
  C  C56  1  0.69429932  0.15431358  0.36987620  1
  C  C57  1  0.13545735  0.85754847  0.61668984  1
  C  C58  1  0.86453640  0.14245177  0.38331239  1
  C  C59  1  0.00665937  0.85192126  0.49824722  1
  C  C60  1  0.99333558  0.14807628  0.50175469  1
  C  C61  1  0.04553887  0.83577872  0.38982626  1
  C  C62  1  0.95445844  0.16421486  0.61017710  1
  C  C63  1  0.21367553  0.82542660  0.40027434  1
  C  C64  1  0.78632247  0.17456553  0.59973098  1
  C  C65  1  0.43828733  0.84836004  0.76108802  1
  C  C66  1  0.56170486  0.15164479  0.23891483  1
  C  C67  1  0.80210548  0.11823122  0.96874445  1
  C  C68  1  0.19788725  0.88177758  0.03125120  1
  C  C69  1  0.91648025  0.63950198  0.77737357  1
  C  C70  1  0.08351971  0.36049752  0.22262535  1
  C  C71  1  0.93825459  0.49510902  0.62100555  1
  C  C72  1  0.06173465  0.50488036  0.37899755  1
  C  C73  1  0.92493057  0.42970703  0.82750143  1
  C  C74  1  0.07506775  0.57029378  0.17250615  1
  S  S75  1  0.55549934  0.83109680  0.35070702  1
  S  S76  1  0.44450278  0.16889852  0.64930364  1
  S  S77  1  0.55323141  0.82173698  0.52996687  1
  S  S78  1  0.44676671  0.17825044  0.47004206  1
  N  N79  1  0.92375048  0.52536848  0.74159391  1
  N  N80  1  0.07624767  0.47462904  0.25841035  1
  O  O81  1  0.74401902  0.73666239  0.05625017  1
  O  O82  1  0.25598149  0.26335723  0.94375420  1
  O  O83  1  0.59059283  0.86655770  0.12675863  1
  O  O84  1  0.40939481  0.13345001  0.87324790  1
  O  O85  1  0.58916354  0.82070326  0.77393508  1
  O  O86  1  0.41082951  0.17930297  0.22607013  1
  O  O87  1  0.38856384  0.87345239  0.85182276  1
  O  O88  1  0.61142485  0.12655424  0.14817811  1
  O  O89  1  0.73117891  0.01768707  0.97045181  1
  O  O90  1  0.26881722  0.98232036  0.02954607  1
  O  O91  1  0.91723325  0.13189431  0.92366869  1
  O  O92  1  0.08276127  0.86811381  0.07632861  1
  O  O93  1  0.91740443  0.66814905  0.88515920  1
  O  O94  1  0.08258986  0.33185665  0.11483687  1
  O  O95  1  0.90482997  0.93113134  0.78539645  1
  O  O96  1  0.09515742  0.06887376  0.21459769  1
