# generated using pymatgen
data_MnFeH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41949290
_cell_length_b   9.53375155
_cell_length_c   9.53742164
_cell_angle_alpha   81.80699697
_cell_angle_beta   75.36538677
_cell_angle_gamma   75.75829135
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH20C28(N3O2)4
_chemical_formula_sum   'Mn1 Fe1 H20 C28 N12 O8'
_cell_volume   800.28012159
_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
  Fe  Fe0  1  0.74126446  0.95055465  0.71284652  1
  Mn  Mn1  1  0.24065941  0.71792219  0.94138067  1
  H  H2  1  0.38850390  0.01329020  0.60981315  1
  H  H3  1  0.89131155  0.60919681  0.02341825  1
  H  H4  1  0.59839813  0.49305975  0.77775119  1
  H  H5  1  0.10311828  0.77174986  0.49144758  1
  H  H6  1  0.87155321  0.87693326  0.17423129  1
  H  H7  1  0.36830037  0.17275478  0.87994944  1
  H  H8  1  0.07823586  0.30943475  0.24822884  1
  H  H9  1  0.58000783  0.24449958  0.29745000  1
  H  H10  1  0.58834277  0.92415321  0.08251763  1
  H  H11  1  0.08093740  0.08406470  0.92378466  1
  H  H12  1  0.95868142  0.11451286  0.40633097  1
  H  H13  1  0.46384895  0.40871865  0.10524770  1
  H  H14  1  0.78923626  0.63200609  0.53493075  1
  H  H15  1  0.29696733  0.52666495  0.62725036  1
  H  H16  1  0.21113520  0.02978636  0.44942192  1
  H  H17  1  0.70928619  0.45430136  0.03156555  1
  H  H18  1  0.30965919  0.98473953  0.18696858  1
  H  H19  1  0.80335447  0.19245533  0.98251684  1
  H  H20  1  0.98776453  0.56719090  0.30814489  1
  H  H21  1  0.49315684  0.30038030  0.55676735  1
  C  C22  1  0.42932295  0.99373509  0.49543818  1
  C  C23  1  0.92929321  0.49520169  0.00218133  1
  C  C24  1  0.44745670  0.90555870  0.86542380  1
  C  C25  1  0.94212572  0.86980296  0.89983959  1
  C  C26  1  0.54921237  0.75222403  0.83260096  1
  C  C27  1  0.04111391  0.82605068  0.74785912  1
  C  C28  1  0.98964993  0.33696032  0.34540781  1
  C  C29  1  0.49336527  0.34202195  0.32710908  1
  C  C30  1  0.54257608  0.94254989  0.19660572  1
  C  C31  1  0.03715314  0.19763664  0.94379344  1
  C  C32  1  0.82098711  0.26514346  0.56114948  1
  C  C33  1  0.32756273  0.56022990  0.26023800  1
  C  C34  1  0.92860818  0.22685479  0.43367739  1
  C  C35  1  0.43371562  0.43341112  0.21859458  1
  C  C36  1  0.82920330  0.52070024  0.50564517  1
  C  C37  1  0.33626328  0.49922328  0.51514825  1
  C  C38  1  0.77215795  0.40954556  0.59541459  1
  C  C39  1  0.27919103  0.59126032  0.40595742  1
  C  C40  1  0.63893162  0.93141522  0.28903047  1
  C  C41  1  0.13565147  0.28716216  0.93713648  1
  C  C42  1  0.33215745  0.00325438  0.40442789  1
  C  C43  1  0.82987465  0.40732330  0.00638629  1
  C  C44  1  0.38778004  0.97815912  0.25609513  1
  C  C45  1  0.88295362  0.25968569  0.97846237  1
  C  C46  1  0.93948245  0.48252296  0.37996619  1
  C  C47  1  0.44480789  0.37395766  0.47375377  1
  C  C48  1  0.58431506  0.95774275  0.43536684  1
  C  C49  1  0.08348338  0.43204003  0.96874327  1
  N  N50  1  0.83274080  0.91809886  0.39040893  1
  N  N51  1  0.33109872  0.38546456  0.92906470  1
  N  N52  1  0.64759513  0.26935445  0.76685576  1
  N  N53  1  0.15550262  0.76473281  0.26811027  1
  N  N54  1  0.70965489  0.94675878  0.49222082  1
  N  N55  1  0.20891199  0.48590208  0.96411485  1
  N  N56  1  0.66579976  0.40411925  0.72321875  1
  N  N57  1  0.17487452  0.72032665  0.40253778  1
  N  N58  1  0.74020269  0.18402728  0.67117164  1
  N  N59  1  0.24953483  0.67221194  0.18088133  1
  N  N60  1  0.79231614  0.90517757  0.26964204  1
  N  N61  1  0.28919791  0.26588055  0.91363139  1
  O  O62  1  0.48642301  0.64428913  0.87220299  1
  O  O63  1  0.97915251  0.86639100  0.64023769  1
  O  O64  1  0.50751777  0.01401511  0.81769618  1
  O  O65  1  1.00098642  0.82403153  0.00894558  1
  O  O66  1  0.31301525  0.91424707  0.93435493  1
  O  O67  1  0.81180707  0.94687980  0.90538292  1
  O  O68  1  0.68425354  0.74546102  0.76699950  1
  O  O69  1  0.17393666  0.75424443  0.74026689  1
