# generated using pymatgen
data_MnFeH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93556232
_cell_length_b   11.67496926
_cell_length_c   12.35801539
_cell_angle_alpha   118.30389635
_cell_angle_beta   100.03426617
_cell_angle_gamma   89.89925119
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH28C32(NO3)4
_chemical_formula_sum   'Mn1 Fe1 H28 C32 N4 O12'
_cell_volume   988.30979327
_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  0.99999891  0.99999957  0.49999843  1
  Fe  Fe1  1  0.50000168  0.50000044  0.50000137  1
  H  H2  1  0.84417371  0.90931971  0.63035104  1
  H  H3  1  0.65560171  0.28226304  0.37336692  1
  H  H4  1  0.15582788  0.09068004  0.36964791  1
  H  H5  1  0.34440107  0.71773778  0.62663445  1
  H  H6  1  0.02373728  0.84470672  0.62494199  1
  H  H7  1  0.47619341  0.22335279  0.37952399  1
  H  H8  1  0.97626378  0.15529319  0.37505573  1
  H  H9  1  0.52380920  0.77664841  0.62047775  1
  H  H10  1  0.76321147  0.93728838  0.24961008  1
  H  H11  1  0.73443626  0.68990965  0.75232192  1
  H  H12  1  0.23678694  0.06271086  0.75038720  1
  H  H13  1  0.26556358  0.31009072  0.24768208  1
  H  H14  1  0.57524933  0.74894338  0.07504326  1
  H  H15  1  0.92258319  0.67560044  0.92623291  1
  H  H16  1  0.42474947  0.25105617  0.92495344  1
  H  H17  1  0.07741474  0.32439999  0.07377199  1
  H  H18  1  0.79574085  0.51199051  0.23953094  1
  H  H19  1  0.70376336  0.27364940  0.75995349  1
  H  H20  1  0.20425347  0.48800888  0.76046732  1
  H  H21  1  0.29623813  0.72634953  0.24004734  1
  H  H22  1  0.98471033  0.70867742  0.40031756  1
  H  H23  1  0.51329569  0.30993445  0.60066496  1
  H  H24  1  0.01528371  0.29132226  0.59968131  1
  H  H25  1  0.48670617  0.69006573  0.39933594  1
  H  H26  1  0.56907458  0.40990142  0.05413692  1
  H  H27  1  0.93138421  0.35547104  0.94398286  1
  H  H28  1  0.43092206  0.59009844  0.94586075  1
  H  H29  1  0.06861537  0.64452707  0.05601864  1
  C  C30  1  0.76486809  0.84120991  0.24379779  1
  C  C31  1  0.73265453  0.59945330  0.75765040  1
  C  C32  1  0.23512958  0.15878937  0.75619954  1
  C  C33  1  0.26734581  0.40054726  0.24235322  1
  C  C34  1  0.66021473  0.73537007  0.14669706  1
  C  C35  1  0.83775262  0.59036377  0.85427476  1
  C  C36  1  0.33978291  0.26462951  0.85330011  1
  C  C37  1  0.16224691  0.40963623  0.14572897  1
  C  C38  1  0.66625877  0.61274456  0.14332238  1
  C  C39  1  0.83275974  0.47072632  0.85692953  1
  C  C40  1  0.33373782  0.38725520  0.85667520  1
  C  C41  1  0.16724020  0.52927294  0.14307268  1
  C  C42  1  0.78487052  0.60423578  0.23787920  1
  C  C43  1  0.71410338  0.36784455  0.76220630  1
  C  C44  1  0.21512466  0.39576353  0.76211866  1
  C  C45  1  0.28589768  0.63215468  0.23779520  1
  C  C46  1  0.88747708  0.71451360  0.32954523  1
  C  C47  1  0.61066343  0.38674673  0.67118856  1
  C  C48  1  0.11251761  0.28548577  0.67045307  1
  C  C49  1  0.38933837  0.61325295  0.32881300  1
  C  C50  1  0.61965639  0.04412024  0.51002771  1
  C  C51  1  0.87977219  0.53439048  0.49284979  1
  C  C52  1  0.38034285  0.95587998  0.48997092  1
  C  C53  1  0.12023083  0.46561071  0.50715235  1
  C  C54  1  0.55642417  0.95667750  0.55251176  1
  C  C55  1  0.94366840  0.40425365  0.44687622  1
  C  C56  1  0.44357538  0.04332227  0.44748769  1
  C  C57  1  0.05633453  0.59574750  0.55312571  1
  C  C58  1  0.55774588  0.49967182  0.04750198  1
  C  C59  1  0.94218492  0.45255914  0.95207916  1
  C  C60  1  0.44225046  0.50032785  0.95249520  1
  C  C61  1  0.05781475  0.54743932  0.04792297  1
  N  N62  1  0.87262660  0.83226642  0.33626140  1
  N  N63  1  0.62428512  0.49804425  0.66455277  1
  N  N64  1  0.12736918  0.16773235  0.66373686  1
  N  N65  1  0.37571683  0.50195583  0.33544956  1
  O  O66  1  0.96633476  0.92050793  0.62511845  1
  O  O67  1  0.53364073  0.29910209  0.37971568  1
  O  O68  1  0.03366605  0.07949193  0.37487913  1
  O  O69  1  0.46636245  0.70089920  0.62028650  1
  O  O70  1  0.76278994  0.09855775  0.52136124  1
  O  O71  1  0.73559515  0.57732162  0.48443368  1
  O  O72  1  0.23720890  0.90144130  0.47863633  1
  O  O73  1  0.26440779  0.42267963  0.51556917  1
  O  O74  1  0.62638155  0.90060801  0.61180768  1
  O  O75  1  0.87220786  0.28922657  0.38805342  1
  O  O76  1  0.37361856  0.09939244  0.38819163  1
  O  O77  1  0.12779484  0.71077448  0.61194705  1
