# generated using pymatgen
data_MnH12C16(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09647518
_cell_length_b   10.48831150
_cell_length_c   10.94851777
_cell_angle_alpha   90.00004301
_cell_angle_beta   88.65069924
_cell_angle_gamma   89.99978388
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH12C16(NO2)2
_chemical_formula_sum   'Mn2 H24 C32 N4 O8'
_cell_volume   929.47230664
_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  0.00000120  0.50000037  0.00000060  1
  Mn  Mn1  1  0.49999804  0.00000053  0.49999956  1
  H  H2  1  0.69337191  0.60961603  0.90880323  1
  H  H3  1  0.80663347  0.10961821  0.59119015  1
  H  H4  1  0.30662801  0.39038279  0.09120371  1
  H  H5  1  0.19336810  0.89037926  0.40879966  1
  H  H6  1  0.43868677  0.53344447  0.81036133  1
  H  H7  1  0.06132051  0.03344525  0.68962986  1
  H  H8  1  0.56131275  0.46655506  0.18964666  1
  H  H9  1  0.93868227  0.96655284  0.31035701  1
  H  H10  1  0.65044179  0.15584190  0.79815324  1
  H  H11  1  0.84955690  0.65584691  0.70185138  1
  H  H12  1  0.34956407  0.84416032  0.20183858  1
  H  H13  1  0.15043357  0.34415554  0.29815786  1
  H  H14  1  0.89930832  0.24291607  0.89535366  1
  H  H15  1  0.60069228  0.74292155  0.60464964  1
  H  H16  1  0.10069741  0.75708495  0.10464017  1
  H  H17  1  0.39929993  0.25707967  0.39535739  1
  H  H18  1  0.25075667  0.16243230  0.62794981  1
  H  H19  1  0.24924434  0.66242582  0.87204454  1
  H  H20  1  0.74923981  0.83757233  0.37204915  1
  H  H21  1  0.75075681  0.33757682  0.12795439  1
  H  H22  1  0.10247731  0.29403192  0.74050617  1
  H  H23  1  0.39752470  0.79402589  0.75949343  1
  H  H24  1  0.89752461  0.70597336  0.25949300  1
  H  H25  1  0.60247181  0.20597824  0.24050794  1
  C  C26  1  0.68186040  0.51041473  0.88090352  1
  C  C27  1  0.81814426  0.01041719  0.61909255  1
  C  C28  1  0.31814094  0.48958490  0.11910040  1
  C  C29  1  0.18185501  0.98958212  0.38090106  1
  C  C30  1  0.53818434  0.46751160  0.82987976  1
  C  C31  1  0.96181973  0.96751341  0.67011573  1
  C  C32  1  0.46181684  0.53248852  0.17012340  1
  C  C33  1  0.03817916  0.03248524  0.32987826  1
  C  C34  1  0.65647054  0.25666732  0.82078708  1
  C  C35  1  0.84352908  0.75667151  0.67921712  1
  C  C36  1  0.34353369  0.74333441  0.17920920  1
  C  C37  1  0.15646366  0.24333016  0.32078823  1
  C  C38  1  0.79631207  0.30505722  0.87303418  1
  C  C39  1  0.70368855  0.80506217  0.62696822  1
  C  C40  1  0.20369208  0.69494372  0.12696247  1
  C  C41  1  0.29630537  0.19493897  0.37303564  1
  C  C42  1  0.52084129  0.33770013  0.80089038  1
  C  C43  1  0.97916060  0.83770321  0.69911047  1
  C  C44  1  0.47916126  0.66230056  0.19910949  1
  C  C45  1  0.02083569  0.16229722  0.30088940  1
  C  C46  1  0.36707931  0.29102235  0.75018127  1
  C  C47  1  0.13292232  0.79102229  0.74981793  1
  C  C48  1  0.63292257  0.70897918  0.24981821  1
  C  C49  1  0.86707429  0.20897911  0.25018170  1
  C  C50  1  0.37170906  0.19749552  0.65838745  1
  C  C51  1  0.12829197  0.69749258  0.84160872  1
  C  C52  1  0.62828960  0.80250626  0.34161200  1
  C  C53  1  0.87170806  0.30250861  0.15839087  1
  C  C54  1  0.20758916  0.33665193  0.78949096  1
  C  C55  1  0.29241429  0.83665116  0.71051136  1
  C  C56  1  0.79241449  0.66335020  0.21051043  1
  C  C57  1  0.70758241  0.16335131  0.28948887  1
  N  N58  1  0.80970252  0.43074236  0.90235774  1
  N  N59  1  0.69029992  0.93074633  0.59764154  1
  N  N60  1  0.19030025  0.56925805  0.09764304  1
  N  N61  1  0.30969609  0.06925365  0.40235750  1
  O  O62  1  0.50596776  0.15831704  0.60663935  1
  O  O63  1  0.99403361  0.65831563  0.89335743  1
  O  O64  1  0.49402847  0.84168397  0.39335855  1
  O  O65  1  0.00596786  0.34168507  0.10664403  1
  O  O66  1  0.18505383  0.41522185  0.87437825  1
  O  O67  1  0.31495279  0.91522632  0.62562791  1
  O  O68  1  0.81495134  0.58477743  0.12562390  1
  O  O69  1  0.68504427  0.08477609  0.37437203  1
