# generated using pymatgen
data_MnFeH24C20(N3O4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32938034
_cell_length_b   11.85382670
_cell_length_c   13.33685302
_cell_angle_alpha   116.04914874
_cell_angle_beta   86.94372941
_cell_angle_gamma   90.01837512
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH24C20(N3O4)4
_chemical_formula_sum   'Mn1 Fe1 H24 C20 N12 O16'
_cell_volume   1039.19106711
_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  0.49987170  0.50008580  0.50004318  1
  Fe  Fe1  1  0.99883291  0.99994998  0.50015966  1
  H  H2  1  0.44955181  0.28873610  0.58071424  1
  H  H3  1  0.05368410  0.70734299  0.41932105  1
  H  H4  1  0.55048452  0.71126735  0.41928628  1
  H  H5  1  0.95068521  0.29258422  0.58022806  1
  H  H6  1  0.45333426  0.26559887  0.75418467  1
  H  H7  1  0.04338516  0.51221873  0.24745400  1
  H  H8  1  0.54657418  0.73439485  0.24583747  1
  H  H9  1  0.95383436  0.48755225  0.75263390  1
  H  H10  1  0.53749424  0.66682494  0.93074856  1
  H  H11  1  0.95957594  0.73636408  0.06897243  1
  H  H12  1  0.46246026  0.33317067  0.06926507  1
  H  H13  1  0.03909507  0.26361536  0.93118472  1
  H  H14  1  0.53048181  0.67537559  0.74896482  1
  H  H15  1  0.97212487  0.92535143  0.24878450  1
  H  H16  1  0.46946731  0.32464337  0.25107342  1
  H  H17  1  0.03249733  0.07474494  0.75089255  1
  H  H18  1  0.39040589  0.75422964  0.59842819  1
  H  H19  1  0.10461966  0.15299889  0.40252877  1
  H  H20  1  0.60933992  0.24585186  0.40158600  1
  H  H21  1  0.89426533  0.84679824  0.59741870  1
  H  H22  1  0.20819588  0.68117463  0.59887487  1
  H  H23  1  0.28652110  0.07886397  0.40215452  1
  H  H24  1  0.79152705  0.31905526  0.40120177  1
  H  H25  1  0.71134253  0.92003284  0.59775039  1
  C  C26  1  0.46963219  0.37193411  0.65870323  1
  C  C27  1  0.03211133  0.71301446  0.34133214  1
  C  C28  1  0.53039877  0.62805373  0.34129594  1
  C  C29  1  0.97074984  0.28691011  0.65836392  1
  C  C30  1  0.47013375  0.35744136  0.75581018  1
  C  C31  1  0.02832125  0.60210649  0.24502689  1
  C  C32  1  0.52984963  0.64254029  0.24419170  1
  C  C33  1  0.97133826  0.39777057  0.75492900  1
  C  C34  1  0.49318489  0.46427836  0.85637122  1
  C  C35  1  0.00423032  0.60825936  0.14398412  1
  C  C36  1  0.50672881  0.53571250  0.14363161  1
  C  C37  1  0.99440432  0.39167194  0.85610046  1
  C  C38  1  0.51687737  0.58168046  0.85519580  1
  C  C39  1  0.98197819  0.72639500  0.14450874  1
  C  C40  1  0.48308921  0.41831629  0.14482043  1
  C  C41  1  0.01835083  0.27360767  0.85547471  1
  C  C42  1  0.51437562  0.58648513  0.75387533  1
  C  C43  1  0.98730549  0.83214908  0.24531575  1
  C  C44  1  0.48561400  0.41351971  0.24614749  1
  C  C45  1  0.01580129  0.16788696  0.75444911  1
  N  N46  1  0.49264329  0.48314638  0.65643422  1
  N  N47  1  0.01041625  0.82672857  0.34336296  1
  N  N48  1  0.50742831  0.51684455  0.34357772  1
  N  N49  1  0.99306498  0.17324963  0.65635592  1
  N  N50  1  0.49144423  0.44913966  0.95595860  1
  N  N51  1  0.00458577  0.49335262  0.04464371  1
  N  N52  1  0.50840800  0.55084439  0.04404576  1
  N  N53  1  0.99246253  0.50652759  0.95556484  1
  N  N54  1  0.87377908  0.62936383  0.59256613  1
  N  N55  1  0.62850917  0.03575286  0.40784146  1
  N  N56  1  0.12623391  0.37103014  0.40748026  1
  N  N57  1  0.37089842  0.96439819  0.59233101  1
  O  O58  1  0.72457846  0.63684111  0.54992070  1
  O  O59  1  0.77789381  0.08519354  0.45136824  1
  O  O60  1  0.27535307  0.36338136  0.45014467  1
  O  O61  1  0.22019196  0.91623759  0.55001033  1
  O  O62  1  0.91128859  0.53940699  0.61231097  1
  O  O63  1  0.59059702  0.92592627  0.38660277  1
  O  O64  1  0.08906665  0.46108034  0.38778806  1
  O  O65  1  0.41114785  0.07362990  0.61282867  1
  O  O66  1  0.98335725  0.72078883  0.61451797  1
  O  O67  1  0.51876253  0.10599690  0.38719569  1
  O  O68  1  0.01647862  0.27971440  0.38549121  1
  O  O69  1  0.47968029  0.89335112  0.61267911  1
  O  O70  1  0.34360824  0.67127749  0.58835983  1
  O  O71  1  0.15153029  0.08087942  0.41391515  1
  O  O72  1  0.65610946  0.32875212  0.41167662  1
  O  O73  1  0.84635375  0.91860873  0.58588738  1
