# generated using pymatgen
data_MnH28(C13N5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82576848
_cell_length_b   10.35780764
_cell_length_c   10.39234262
_cell_angle_alpha   75.52075018
_cell_angle_beta   72.05150843
_cell_angle_gamma   72.74336109
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH28(C13N5)2
_chemical_formula_sum   'Mn1 H28 C26 N10'
_cell_volume   657.26580612
_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  0.00000084  0.00000037  0.99999995  1
  H  H1  1  0.93615405  0.06468471  0.71816295  1
  H  H2  1  0.07454880  0.28019796  0.92300387  1
  H  H3  1  0.06385053  0.93531168  0.28183202  1
  H  H4  1  0.92545094  0.71980018  0.07699431  1
  H  H5  1  0.12138556  0.16325551  0.48668922  1
  H  H6  1  0.88907979  0.51141613  0.82760551  1
  H  H7  1  0.87862079  0.83674410  0.51330814  1
  H  H8  1  0.11091820  0.48858315  0.17239467  1
  H  H9  1  0.64920139  0.12838942  0.65179151  1
  H  H10  1  0.34670040  0.34648342  0.89005514  1
  H  H11  1  0.35079669  0.87161475  0.34821159  1
  H  H12  1  0.65329747  0.65351591  0.10994467  1
  H  H13  1  0.45262386  0.03019111  0.87513290  1
  H  H14  1  0.54493512  0.12331158  0.98495609  1
  H  H15  1  0.54737100  0.96981271  0.12486875  1
  H  H16  1  0.45506410  0.87668724  0.01504307  1
  H  H17  1  0.52082740  0.15663117  0.33717671  1
  H  H18  1  0.48528021  0.66012815  0.84620986  1
  H  H19  1  0.47917383  0.84336894  0.66282358  1
  H  H20  1  0.51471566  0.33987102  0.15379153  1
  H  H21  1  0.68060360  0.21004965  0.40873872  1
  H  H22  1  0.32210534  0.58632919  0.79835118  1
  H  H23  1  0.31940110  0.78994980  0.59125921  1
  H  H24  1  0.67789436  0.41366957  0.20164708  1
  H  H25  1  0.23712419  0.37548256  0.37593753  1
  H  H26  1  0.76287724  0.62451773  0.62406638  1
  H  H27  1  0.41199268  0.43445161  0.42959155  1
  H  H28  1  0.58801319  0.56554821  0.57040871  1
  C  C29  1  0.09487427  0.07876866  0.70010441  1
  C  C30  1  0.91282016  0.29855671  0.91525415  1
  C  C31  1  0.90512868  0.92122970  0.29989295  1
  C  C32  1  0.08717897  0.70144244  0.08474470  1
  C  C33  1  0.19837512  0.13665404  0.57108872  1
  C  C34  1  0.80936540  0.42695249  0.85867226  1
  C  C35  1  0.80162946  0.86334521  0.42890960  1
  C  C36  1  0.19063309  0.57304675  0.14132737  1
  C  C37  1  0.40103781  0.15561621  0.55060857  1
  C  C38  1  0.60307074  0.44691645  0.84749007  1
  C  C39  1  0.59896611  0.84438379  0.44939135  1
  C  C40  1  0.39692741  0.55308284  0.15251002  1
  C  C41  1  0.49156877  0.11567783  0.66214351  1
  C  C42  1  0.50841639  0.33574789  0.89475117  1
  C  C43  1  0.50843131  0.88432400  0.33785771  1
  C  C44  1  0.49158158  0.66425152  0.10524880  1
  C  C45  1  0.38058661  0.05836942  0.78879836  1
  C  C46  1  0.61979629  0.20965132  0.95018806  1
  C  C47  1  0.61941101  0.94163273  0.21120223  1
  C  C48  1  0.38020235  0.79034798  0.04981132  1
  C  C49  1  0.51525847  0.21803701  0.41120961  1
  C  C50  1  0.48824213  0.58539366  0.78636223  1
  C  C51  1  0.48474523  0.78196275  0.58879024  1
  C  C52  1  0.51175661  0.41460580  0.21363799  1
  C  C53  1  0.40609259  0.36717044  0.36424610  1
  C  C54  1  0.59390994  0.63282949  0.63575516  1
  N  N55  1  0.82206030  0.91133900  0.91277837  1
  N  N56  1  0.17794222  0.08866382  0.08722196  1
  N  N57  1  0.87609900  0.83170492  0.83505174  1
  N  N58  1  0.12389709  0.16829635  0.16494911  1
  N  N59  1  0.93397843  0.75395069  0.75807308  1
  N  N60  1  0.06600991  0.24605092  0.24192983  1
  N  N61  1  0.18463806  0.04003888  0.80817339  1
  N  N62  1  0.81976215  0.19064851  0.96008755  1
  N  N63  1  0.81536134  0.95996108  0.19182583  1
  N  N64  1  0.18023695  0.80935088  0.03991177  1
