# generated using pymatgen
data_MnH10C14(N3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22898301
_cell_length_b   9.45374987
_cell_length_c   9.45374726
_cell_angle_alpha   81.24188966
_cell_angle_beta   75.53310670
_cell_angle_gamma   75.53324257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH10C14(N3O2)2
_chemical_formula_sum   'Mn2 H20 C28 N12 O8'
_cell_volume   769.78860882
_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  0.74646079  0.95400619  0.70814468  1
  Mn  Mn1  1  0.24645916  0.70814394  0.95401220  1
  H  H2  1  0.38017213  0.01966470  0.60674090  1
  H  H3  1  0.88017364  0.60673797  0.01966123  1
  H  H4  1  0.60946284  0.50543059  0.77593840  1
  H  H5  1  0.10945909  0.77593775  0.50543554  1
  H  H6  1  0.86616966  0.87737494  0.16517861  1
  H  H7  1  0.36617218  0.16517891  0.87737014  1
  H  H8  1  0.08804157  0.31537001  0.23592044  1
  H  H9  1  0.58804654  0.23592637  0.31537529  1
  H  H10  1  0.57031100  0.92869614  0.07506041  1
  H  H11  1  0.07031808  0.07506078  0.92868059  1
  H  H12  1  0.95631796  0.12358317  0.39505912  1
  H  H13  1  0.45631968  0.39506017  0.12358763  1
  H  H14  1  0.80422389  0.64587857  0.52187306  1
  H  H15  1  0.30421706  0.52187440  0.64588343  1
  H  H16  1  0.19296357  0.03062995  0.45175234  1
  H  H17  1  0.69296651  0.45174921  0.03061988  1
  H  H18  1  0.28678220  0.98555832  0.18692305  1
  H  H19  1  0.78678345  0.18692222  0.98554798  1
  H  H20  1  1.00572122  0.57565666  0.29435376  1
  H  H21  1  0.50571887  0.29435794  0.57566300  1
  C  C22  1  0.41803917  -0.00039318  0.49164277  1
  C  C23  1  0.91804087  0.49164057  -0.00039870  1
  C  C24  1  0.44888311  0.90358777  0.86945946  1
  C  C25  1  0.94888224  0.86945563  0.90359097  1
  C  C26  1  0.55459651  0.75038606  0.83553174  1
  C  C27  1  0.05459749  0.83553114  0.75038987  1
  C  C28  1  0.99876505  0.34486666  0.33360765  1
  C  C29  1  0.49876665  0.33361131  0.34487164  1
  C  C30  1  0.52580918  0.94647010  0.19026389  1
  C  C31  1  0.02581272  0.19026316  0.94645732  1
  C  C32  1  0.82855623  0.27655453  0.55330303  1
  C  C33  1  0.32855361  0.55330287  0.27655856  1
  C  C34  1  0.93294931  0.23581878  0.42340023  1
  C  C35  1  0.43295016  0.42340186  0.23582306  1
  C  C36  1  0.84281316  0.53318577  0.49401210  1
  C  C37  1  0.34280838  0.49401309  0.53319086  1
  C  C38  1  0.78336828  0.42251593  0.58697560  1
  C  C39  1  0.28336347  0.58697467  0.42252026  1
  C  C40  1  0.62724584  0.93649950  0.28031862  1
  C  C41  1  0.12724813  0.28031867  0.93649063  1
  C  C42  1  0.31584732  0.00590801  0.40348774  1
  C  C43  1  0.81585048  0.40348490  0.00589889  1
  C  C44  1  0.36866447  0.98073298  0.25414090  1
  C  C45  1  0.86866774  0.25413862  0.98072192  1
  C  C46  1  0.95330553  0.49205333  0.36738798  1
  C  C47  1  0.45330430  0.36739111  0.49205856  1
  C  C48  1  0.57489177  0.96624174  0.42714398  1
  C  C49  1  0.07489382  0.42714265  0.96623675  1
  N  N50  1  0.82700813  0.93513055  0.37581353  1
  N  N51  1  0.32700895  0.37581122  0.93513357  1
  N  N52  1  0.65801896  0.28199898  0.76374904  1
  N  N53  1  0.15801689  0.76374892  0.28200266  1
  N  N54  1  0.70315803  0.96544751  0.47919404  1
  N  N55  1  0.20315915  0.47919211  0.96544734  1
  N  N56  1  0.67736033  0.41778415  0.71774256  1
  N  N57  1  0.17735363  0.71773984  0.41778894  1
  N  N58  1  0.74700836  0.19587400  0.66610761  1
  N  N59  1  0.24700390  0.66610559  0.19587854  1
  N  N60  1  0.78383329  0.91680421  0.25656004  1
  N  N61  1  0.28383500  0.25656043  0.91679757  1
  O  O62  1  0.49427236  0.63952816  0.88244376  1
  O  O63  1  0.99427420  0.88244329  0.63953121  1
  O  O64  1  0.50530900  0.01509526  0.81447332  1
  O  O65  1  1.00530753  0.81447095  0.01509887  1
  O  O66  1  0.31516361  0.90964289  0.94616271  1
  O  O67  1  0.81516114  0.94615558  0.90964550  1
  O  O68  1  0.68972609  0.74450729  0.76232077  1
  O  O69  1  0.18972922  0.76232249  0.74451085  1
