# generated using pymatgen
data_MnH14C16(NO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95867716
_cell_length_b   11.68913990
_cell_length_c   12.37857066
_cell_angle_alpha   118.30922319
_cell_angle_beta   99.99062289
_cell_angle_gamma   89.90723703
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH14C16(NO3)2
_chemical_formula_sum   'Mn2 H28 C32 N4 O12'
_cell_volume   994.14870177
_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  0.99999958  0.99999942  0.49999887  1
  Mn  Mn1  1  0.50000440  0.50000119  0.50000067  1
  H  H2  1  0.84394237  0.90965454  0.63017344  1
  H  H3  1  0.65599590  0.27854209  0.36984339  1
  H  H4  1  0.15605724  0.09034371  0.36982484  1
  H  H5  1  0.34400739  0.72145731  0.63015812  1
  H  H6  1  0.02216228  0.84369810  0.62421074  1
  H  H7  1  0.47776850  0.21880635  0.37562254  1
  H  H8  1  0.97783688  0.15629971  0.37578758  1
  H  H9  1  0.52223378  0.78119385  0.62437964  1
  H  H10  1  0.76243432  0.93729968  0.24923986  1
  H  H11  1  0.73628160  0.68962489  0.75293971  1
  H  H12  1  0.23756288  0.06269998  0.75075725  1
  H  H13  1  0.26371933  0.31037590  0.24706405  1
  H  H14  1  0.57493633  0.74916432  0.07506655  1
  H  H15  1  0.92313860  0.67543077  0.92709826  1
  H  H16  1  0.42506170  0.25083486  0.92493005  1
  H  H17  1  0.07685971  0.32456959  0.07290609  1
  H  H18  1  0.79634052  0.51232735  0.23842195  1
  H  H19  1  0.70468089  0.27385340  0.76066051  1
  H  H20  1  0.20365426  0.48767322  0.76157753  1
  H  H21  1  0.29531996  0.72614565  0.23933995  1
  H  H22  1  0.98418481  0.70893746  0.39901491  1
  H  H23  1  0.51675789  0.31038277  0.60061633  1
  H  H24  1  0.01581040  0.29106291  0.60098396  1
  H  H25  1  0.48324421  0.68961741  0.39938469  1
  H  H26  1  0.56979558  0.41023035  0.05395568  1
  H  H27  1  0.93130985  0.35572254  0.94476832  1
  H  H28  1  0.43020062  0.58976949  0.94604208  1
  H  H29  1  0.06869027  0.64427646  0.05523367  1
  C  C30  1  0.76437482  0.84123701  0.24325779  1
  C  C31  1  0.73479672  0.59918826  0.75825837  1
  C  C32  1  0.23562244  0.15876265  0.75673977  1
  C  C33  1  0.26520385  0.40081206  0.24174498  1
  C  C34  1  0.65994942  0.73553241  0.14638642  1
  C  C35  1  0.83905461  0.59017704  0.85501264  1
  C  C36  1  0.34004780  0.26446735  0.85361109  1
  C  C37  1  0.16094493  0.40982279  0.14499050  1
  C  C38  1  0.66631292  0.61293086  0.14275378  1
  C  C39  1  0.83365046  0.47062864  0.85754502  1
  C  C40  1  0.33368340  0.38706899  0.85724405  1
  C  C41  1  0.16634968  0.52937075  0.14245721  1
  C  C42  1  0.78507990  0.60443099  0.23684225  1
  C  C43  1  0.71547831  0.36787417  0.76288772  1
  C  C44  1  0.21491559  0.39556894  0.76315611  1
  C  C45  1  0.28452263  0.63212538  0.23711367  1
  C  C46  1  0.88716965  0.71465636  0.32837986  1
  C  C47  1  0.61335272  0.38688903  0.67167968  1
  C  C48  1  0.11282648  0.28534353  0.67161834  1
  C  C49  1  0.38664829  0.61311151  0.32832203  1
  C  C50  1  0.61915033  0.04393216  0.50943058  1
  C  C51  1  0.88072549  0.53461248  0.49046092  1
  C  C52  1  0.38084878  0.95606785  0.49056789  1
  C  C53  1  0.11927812  0.46538907  0.50954085  1
  C  C54  1  0.55641499  0.95889386  0.55436332  1
  C  C55  1  0.94371558  0.40434181  0.44597161  1
  C  C56  1  0.44358403  0.04110551  0.44563550  1
  C  C57  1  0.05628752  0.59565894  0.55402975  1
  C  C58  1  0.55797151  0.49985577  0.04730399  1
  C  C59  1  0.94230174  0.45250096  0.95242650  1
  C  C60  1  0.44202491  0.50014399  0.95269390  1
  C  C61  1  0.05769818  0.54749815  0.04757559  1
  N  N62  1  0.87218878  0.83230698  0.33533487  1
  N  N63  1  0.62779548  0.49796833  0.66544024  1
  N  N64  1  0.12780843  0.16769317  0.66466264  1
  N  N65  1  0.37220484  0.50203296  0.33456288  1
  O  O66  1  0.96544299  0.91925885  0.62358804  1
  O  O67  1  0.53451919  0.29498919  0.37646839  1
  O  O68  1  0.03455591  0.08073798  0.37640831  1
  O  O69  1  0.46548474  0.70501094  0.62353502  1
  O  O70  1  0.76174607  0.09803614  0.52011038  1
  O  O71  1  0.73786183  0.57806831  0.48029322  1
  O  O72  1  0.23825281  0.90196338  0.47988765  1
  O  O73  1  0.26214210  0.42193338  0.51970923  1
  O  O74  1  0.62649464  0.90446742  0.61495918  1
  O  O75  1  0.87363854  0.28916581  0.38549885  1
  O  O76  1  0.37350467  0.09553306  0.38503989  1
  O  O77  1  0.12636424  0.71083523  0.61450171  1
