# generated using pymatgen
data_MnFeH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41811176
_cell_length_b   9.53372201
_cell_length_c   9.53768404
_cell_angle_alpha   81.80642219
_cell_angle_beta   75.35971120
_cell_angle_gamma   75.76096431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH20C28(N3O2)4
_chemical_formula_sum   'Mn1 Fe1 H20 C28 N12 O8'
_cell_volume   800.17116858
_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  0.74129371  0.94330100  0.72066816  1
  Fe  Fe1  1  0.24035812  0.71128598  0.94771957  1
  H  H2  1  0.39085723  0.01238332  0.60808509  1
  H  H3  1  0.89057179  0.61028153  0.02431473  1
  H  H4  1  0.59653818  0.49635745  0.77788046  1
  H  H5  1  0.10425647  0.77144719  0.49004130  1
  H  H6  1  0.87233722  0.87541994  0.17054150  1
  H  H7  1  0.36829386  0.17419355  0.88122740  1
  H  H8  1  0.07786798  0.31047177  0.24824253  1
  H  H9  1  0.57946514  0.24489212  0.29716924  1
  H  H10  1  0.58711171  0.92462700  0.07967873  1
  H  H11  1  0.08281733  0.08594962  0.92420979  1
  H  H12  1  0.95830822  0.11586993  0.40838098  1
  H  H13  1  0.46512603  0.40874192  0.10386551  1
  H  H14  1  0.79008924  0.63496543  0.53360534  1
  H  H15  1  0.29602543  0.52816180  0.62533846  1
  H  H16  1  0.21130301  0.03001498  0.44869495  1
  H  H17  1  0.71009158  0.45479852  0.03165526  1
  H  H18  1  0.30826375  0.98467564  0.18608376  1
  H  H19  1  0.80478967  0.19251990  0.98279054  1
  H  H20  1  0.98781769  0.56852671  0.30652448  1
  H  H21  1  0.49212839  0.30155460  0.55620025  1
  C  C22  1  0.43019933  0.99345505  0.49353138  1
  C  C23  1  0.92963447  0.49672971  0.00231397  1
  C  C24  1  0.44267399  0.90087445  0.86768739  1
  C  C25  1  0.94726933  0.86795735  0.90471970  1
  C  C26  1  0.54469650  0.74718796  0.83624206  1
  C  C27  1  0.04558603  0.82406806  0.75218224  1
  C  C28  1  0.98942204  0.33808846  0.34546733  1
  C  C29  1  0.49296452  0.34261331  0.32614988  1
  C  C30  1  0.54147294  0.94259305  0.19378481  1
  C  C31  1  0.03807043  0.19949486  0.94450696  1
  C  C32  1  0.82011262  0.26837391  0.56105238  1
  C  C33  1  0.32775415  0.56048531  0.25757692  1
  C  C34  1  0.92816909  0.22852719  0.43452355  1
  C  C35  1  0.43409761  0.43374645  0.21696618  1
  C  C36  1  0.82954802  0.52367179  0.50437572  1
  C  C37  1  0.33556858  0.50017275  0.51333040  1
  C  C38  1  0.77170383  0.41326980  0.59461284  1
  C  C39  1  0.27915986  0.59166405  0.40328396  1
  C  C40  1  0.63847761  0.93115156  0.28544249  1
  C  C41  1  0.13609744  0.28983408  0.93744046  1
  C  C42  1  0.33229389  0.00330911  0.40322774  1
  C  C43  1  0.83073844  0.40821601  0.00673316  1
  C  C44  1  0.38685247  0.97831895  0.25474042  1
  C  C45  1  0.88372120  0.26054698  0.97907566  1
  C  C46  1  0.93959766  0.48410019  0.37894987  1
  C  C47  1  0.44412279  0.37471928  0.47270514  1
  C  C48  1  0.58470638  0.95734065  0.43216740  1
  C  C49  1  0.08383828  0.43511033  0.96822830  1
  N  N50  1  0.83238703  0.91619458  0.38728461  1
  N  N51  1  0.33214698  0.38823290  0.92694833  1
  N  N52  1  0.64685411  0.27276230  0.76568410  1
  N  N53  1  0.15464938  0.76520956  0.26606082  1
  N  N54  1  0.70944564  0.94609400  0.48880175  1
  N  N55  1  0.21013865  0.48950066  0.96085382  1
  N  N56  1  0.66503721  0.40795951  0.72267585  1
  N  N57  1  0.17450758  0.72047359  0.40014884  1
  N  N58  1  0.73946072  0.18755257  0.67015988  1
  N  N59  1  0.24867243  0.67282124  0.17826362  1
  N  N60  1  0.79224725  0.90438645  0.26570563  1
  N  N61  1  0.28968415  0.26850854  0.91304513  1
  O  O62  1  0.48150048  0.63969910  0.87614702  1
  O  O63  1  0.98301039  0.86286899  0.64480494  1
  O  O64  1  0.50353885  0.00924797  0.82348701  1
  O  O65  1  1.00585074  0.81893948  0.01332134  1
  O  O66  1  0.30750077  0.90879759  0.93402039  1
  O  O67  1  0.81694105  0.94602367  0.91240424  1
  O  O68  1  0.68058515  0.73801938  0.77241963  1
  O  O69  1  0.17822203  0.75200526  0.74518845  1
