# generated using pymatgen
data_MnH11C9S2N3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25405265
_cell_length_b   8.96799753
_cell_length_c   9.21773308
_cell_angle_alpha   110.15877619
_cell_angle_beta   103.26021828
_cell_angle_gamma   89.95509157
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH11C9S2N3O2
_chemical_formula_sum   'Mn2 H22 C18 S4 N6 O4'
_cell_volume   621.15152043
_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  0.67097430  0.88756903  0.52518650  1
  Mn  Mn1  1  0.32902586  0.11243228  0.47481700  1
  H  H2  1  0.98273380  0.48409812  0.63482109  1
  H  H3  1  0.01725686  0.51590599  0.36517112  1
  H  H4  1  0.72713108  0.58406988  0.01408402  1
  H  H5  1  0.27287847  0.41592790  0.98592010  1
  H  H6  1  0.81129211  0.22435577  0.50008275  1
  H  H7  1  0.18870128  0.77564601  0.49991327  1
  H  H8  1  0.56375744  0.32194241  0.86746200  1
  H  H9  1  0.43625009  0.67805568  0.13254408  1
  H  H10  1  0.78111810  0.04733457  0.89388164  1
  H  H11  1  0.21888054  0.95266069  0.10612276  1
  H  H12  1  0.68725482  0.93286960  0.98356162  1
  H  H13  1  0.31274069  0.06712366  0.01643940  1
  H  H14  1  0.56532678  0.05857104  0.89421773  1
  H  H15  1  0.43467210  0.94142677  0.10578639  1
  H  H16  1  0.94003759  0.77944160  0.03123409  1
  H  H17  1  0.05995527  0.22056273  0.96875796  1
  H  H18  1  0.93322771  0.79002003  0.83987534  1
  H  H19  1  0.06678351  0.20997835  0.16011813  1
  H  H20  1  0.09942432  0.70272256  0.93053814  1
  H  H21  1  0.90057506  0.29727304  0.06946444  1
  H  H22  1  0.53019627  0.78415679  0.72932564  1
  H  H23  1  0.46980158  0.21584134  0.27067455  1
  C  C24  1  0.06822476  0.01829992  0.69178724  1
  C  C25  1  0.93177654  0.98170144  0.30821163  1
  C  C26  1  0.89093187  0.45274433  0.69042304  1
  C  C27  1  0.10906222  0.54725840  0.30957169  1
  C  C28  1  0.68403656  0.50451782  0.33844694  1
  C  C29  1  0.31596237  0.49548052  0.66155315  1
  C  C30  1  0.74919430  0.50838001  0.89995162  1
  C  C31  1  0.25081010  0.49161918  0.10005032  1
  C  C32  1  0.86741495  0.55736666  0.83500990  1
  C  C33  1  0.13258014  0.44263544  0.16498460  1
  C  C34  1  0.79811269  0.30798925  0.61346832  1
  C  C35  1  0.20188326  0.69201248  0.38652854  1
  C  C36  1  0.65834514  0.36296753  0.82180756  1
  C  C37  1  0.34165917  0.63703137  0.17819557  1
  C  C38  1  0.66715503  0.97978433  0.88596911  1
  C  C39  1  0.33284251  0.02021103  0.11403291  1
  C  C40  1  0.96480839  0.71617115  0.91428548  1
  C  C41  1  0.03519114  0.28382870  0.08571049  1
  S  S42  1  0.26074840  0.09730979  0.74924413  1
  S  S43  1  0.73925589  0.90269491  0.25076068  1
  S  S44  1  0.66791361  0.32024111  0.21804607  1
  S  S45  1  0.33208271  0.67975749  0.78195358  1
  N  N46  1  0.92792851  0.96359593  0.65110054  1
  N  N47  1  0.07207888  0.03640570  0.34889748  1
  N  N48  1  0.68234077  0.26452310  0.67913611  1
  N  N49  1  0.31765945  0.73547742  0.32086461  1
  N  N50  1  0.69624263  0.63915011  0.42372110  1
  N  N51  1  0.30375916  0.36084971  0.57627998  1
  O  O52  1  0.58751191  0.12551088  0.60250292  1
  O  O53  1  0.41248901  0.87448936  0.39749991  1
  O  O54  1  0.63030798  0.85060232  0.73590491  1
  O  O55  1  0.36968979  0.14939628  0.26409595  1
