# generated using pymatgen
data_MnFeH24C20(N3O4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33444240
_cell_length_b   11.85839132
_cell_length_c   13.35167167
_cell_angle_alpha   116.04239416
_cell_angle_beta   86.94779681
_cell_angle_gamma   90.01524558
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH24C20(N3O4)4
_chemical_formula_sum   'Mn1 Fe1 H24 C20 N12 O16'
_cell_volume   1041.52858463
_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  0.49979990  0.50014508  0.50010281  1
  Mn  Mn1  1  0.99939178  0.99994158  0.50004491  1
  H  H2  1  0.45010094  0.28902541  0.58017446  1
  H  H3  1  0.05274425  0.70734222  0.41926633  1
  H  H4  1  0.55013001  0.71086939  0.41977132  1
  H  H5  1  0.95116582  0.29249699  0.58029924  1
  H  H6  1  0.45407972  0.26325045  0.75210884  1
  H  H7  1  0.04329370  0.51088814  0.24833555  1
  H  H8  1  0.54576123  0.73666663  0.24781121  1
  H  H9  1  0.95462038  0.48904597  0.75185100  1
  H  H10  1  0.53576998  0.66395262  0.93168836  1
  H  H11  1  0.96220438  0.73138634  0.06698920  1
  H  H12  1  0.46410563  0.33599790  0.06832521  1
  H  H13  1  0.03695233  0.26859418  0.93313483  1
  H  H14  1  0.52952708  0.67500772  0.75137648  1
  H  H15  1  0.97378898  0.92183869  0.24549866  1
  H  H16  1  0.47047637  0.32493676  0.24862005  1
  H  H17  1  0.03037860  0.07837807  0.75432542  1
  H  H18  1  0.39176451  0.74900454  0.59820390  1
  H  H19  1  0.11167693  0.15373925  0.39800651  1
  H  H20  1  0.60759958  0.25111852  0.40181507  1
  H  H21  1  0.88733083  0.84612587  0.60188277  1
  H  H22  1  0.20954986  0.67398396  0.59513374  1
  H  H23  1  0.29347671  0.08148075  0.39906636  1
  H  H24  1  0.78987565  0.32612559  0.40501907  1
  H  H25  1  0.70531510  0.91826399  0.60051838  1
  C  C26  1  0.46959069  0.37136358  0.65873412  1
  C  C27  1  0.03077787  0.71184620  0.34092159  1
  C  C28  1  0.53067105  0.62854352  0.34119881  1
  C  C29  1  0.97098100  0.28817193  0.65895233  1
  C  C30  1  0.47000211  0.35569505  0.75513499  1
  C  C31  1  0.02865918  0.60025862  0.24508704  1
  C  C32  1  0.52997767  0.64425007  0.24483220  1
  C  C33  1  0.97107756  0.39970906  0.75494116  1
  C  C34  1  0.49214720  0.46205612  0.85610159  1
  C  C35  1  0.00626158  0.60550926  0.14369834  1
  C  C36  1  0.50769250  0.53788579  0.14387809  1
  C  C37  1  0.99287031  0.39446331  0.85638537  1
  C  C38  1  0.51535868  0.57952303  0.85557980  1
  C  C39  1  0.98365917  0.72307976  0.14338238  1
  C  C40  1  0.48459316  0.42042178  0.14441371  1
  C  C41  1  0.01671063  0.27693187  0.85662021  1
  C  C42  1  0.51330661  0.58542613  0.75487343  1
  C  C43  1  0.98732580  0.82928939  0.24358449  1
  C  C44  1  0.48685124  0.41449948  0.24510524  1
  C  C45  1  0.01480134  0.17080486  0.75627789  1
  N  N46  1  0.49108325  0.48304034  0.65696513  1
  N  N47  1  0.00856234  0.82493401  0.34215416  1
  N  N48  1  0.50943729  0.51683949  0.34297509  1
  N  N49  1  0.99355158  0.17511625  0.65772465  1
  N  N50  1  0.49111897  0.44853810  0.95656300  1
  N  N51  1  0.00662790  0.49199817  0.04384034  1
  N  N52  1  0.50852457  0.55142648  0.04343043  1
  N  N53  1  0.99027040  0.50787019  0.95638128  1
  N  N54  1  0.86979408  0.62470374  0.59106736  1
  N  N55  1  0.62807644  0.03708760  0.40697786  1
  N  N56  1  0.13013480  0.37532976  0.40893340  1
  N  N57  1  0.37151709  0.96312297  0.59322240  1
  O  O58  1  0.72025494  0.63204243  0.54842522  1
  O  O59  1  0.77636206  0.08664076  0.45125613  1
  O  O60  1  0.27949666  0.36796332  0.45175579  1
  O  O61  1  0.22204807  0.91454873  0.55015345  1
  O  O62  1  0.90703629  0.53557013  0.61197651  1
  O  O63  1  0.59008534  0.92757729  0.38659988  1
  O  O64  1  0.09316223  0.46451386  0.38803090  1
  O  O65  1  0.41136418  0.07214768  0.61280161  1
  O  O66  1  0.98010303  0.71485324  0.61108771  1
  O  O67  1  0.52008831  0.10693581  0.38455837  1
  O  O68  1  0.01978440  0.28520125  0.38875855  1
  O  O69  1  0.47901899  0.89283623  0.61543188  1
  O  O70  1  0.34479479  0.66528024  0.58514386  1
  O  O71  1  0.15816834  0.08167365  0.40910754  1
  O  O72  1  0.65468083  0.33484749  0.41506072  1
  O  O73  1  0.84065687  0.91803019  0.59062378  1
