# generated using pymatgen
data_MnFeH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93678485
_cell_length_b   11.67596403
_cell_length_c   12.36274002
_cell_angle_alpha   118.33571310
_cell_angle_beta   100.02281903
_cell_angle_gamma   89.91321934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH28C32(NO3)4
_chemical_formula_sum   'Mn1 Fe1 H28 C32 N4 O12'
_cell_volume   988.63562983
_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  0.99999970  0.99999947  0.49999883  1
  Mn  Mn1  1  0.50000252  0.50000077  0.50000113  1
  H  H2  1  0.84443672  0.90983948  0.62702176  1
  H  H3  1  0.65585871  0.27813467  0.36987648  1
  H  H4  1  0.15556308  0.09015969  0.37297654  1
  H  H5  1  0.34414323  0.72186583  0.63012501  1
  H  H6  1  0.02365863  0.84423661  0.62059307  1
  H  H7  1  0.47630519  0.21905074  0.37501749  1
  H  H8  1  0.97634152  0.15576292  0.37940505  1
  H  H9  1  0.52369639  0.78094974  0.62498404  1
  H  H10  1  0.76409968  0.93805415  0.25006340  1
  H  H11  1  0.73511464  0.68930791  0.75246972  1
  H  H12  1  0.23589862  0.06194534  0.74993388  1
  H  H13  1  0.26488587  0.31069257  0.24753409  1
  H  H14  1  0.57526661  0.75002684  0.07601812  1
  H  H15  1  0.92242496  0.67538966  0.92702707  1
  H  H16  1  0.42473180  0.24997261  0.92397871  1
  H  H17  1  0.07757299  0.32461048  0.07297750  1
  H  H18  1  0.79724326  0.51252154  0.23892711  1
  H  H19  1  0.70574417  0.27242601  0.75927016  1
  H  H20  1  0.20275118  0.48747862  0.76107182  1
  H  H21  1  0.29425719  0.72757270  0.24073038  1
  H  H22  1  0.98794259  0.70808432  0.39860271  1
  H  H23  1  0.51641399  0.30875129  0.59913728  1
  H  H24  1  0.01205220  0.29191536  0.60139597  1
  H  H25  1  0.48358841  0.69124835  0.40086363  1
  H  H26  1  0.56979332  0.41050233  0.05438965  1
  H  H27  1  0.93228061  0.35518471  0.94429040  1
  H  H28  1  0.43020307  0.58949769  0.94560806  1
  H  H29  1  0.06771929  0.64481443  0.05571172  1
  C  C30  1  0.76649025  0.84188336  0.24388892  1
  C  C31  1  0.73410219  0.59868322  0.75760180  1
  C  C32  1  0.23350737  0.15811622  0.75610845  1
  C  C33  1  0.26589846  0.40131705  0.24240161  1
  C  C34  1  0.66115051  0.73626186  0.14713969  1
  C  C35  1  0.83854839  0.58981765  0.85459919  1
  C  C36  1  0.33884702  0.26373762  0.85285770  1
  C  C37  1  0.16145128  0.41018230  0.14540439  1
  C  C38  1  0.66719838  0.61341995  0.14328592  1
  C  C39  1  0.83373611  0.46998991  0.85688042  1
  C  C40  1  0.33279805  0.38657970  0.85671181  1
  C  C41  1  0.16626351  0.53000928  0.14312172  1
  C  C42  1  0.78652193  0.60478859  0.23733921  1
  C  C43  1  0.71591198  0.36670217  0.76167911  1
  C  C44  1  0.21347350  0.39521136  0.76265921  1
  C  C45  1  0.28408869  0.63329697  0.23832199  1
  C  C46  1  0.89002612  0.71468445  0.32863183  1
  C  C47  1  0.61315854  0.38555700  0.67034556  1
  C  C48  1  0.10996936  0.28531520  0.67136644  1
  C  C49  1  0.38684291  0.61444261  0.32965579  1
  C  C50  1  0.62004962  0.04143403  0.50710479  1
  C  C51  1  0.88036577  0.53422878  0.48990891  1
  C  C52  1  0.37994973  0.95856598  0.49289408  1
  C  C53  1  0.11963865  0.46577231  0.51009295  1
  C  C54  1  0.55640367  0.95797272  0.55351482  1
  C  C55  1  0.94367201  0.40407729  0.44753213  1
  C  C56  1  0.44359606  0.04202727  0.44648431  1
  C  C57  1  0.05633110  0.59592344  0.55246934  1
  C  C58  1  0.55810943  0.50012976  0.04755931  1
  C  C59  1  0.94259696  0.45217532  0.95212595  1
  C  C60  1  0.44188716  0.49987002  0.95243848  1
  C  C61  1  0.05740244  0.54782394  0.04787607  1
  N  N62  1  0.87592757  0.83302281  0.33611448  1
  N  N63  1  0.62735823  0.49697936  0.66438081  1
  N  N64  1  0.12406925  0.16697651  0.66388332  1
  N  N65  1  0.37264334  0.50302090  0.33562154  1
  O  O66  1  0.96639472  0.92015176  0.62077868  1
  O  O67  1  0.53366438  0.29465864  0.37504332  1
  O  O68  1  0.03360493  0.07984727  0.37921889  1
  O  O69  1  0.46633803  0.70534231  0.62495967  1
  O  O70  1  0.76408574  0.09293526  0.51564674  1
  O  O71  1  0.73701974  0.57742676  0.47888556  1
  O  O72  1  0.23591362  0.90706415  0.48435154  1
  O  O73  1  0.26298420  0.42257410  0.52111643  1
  O  O74  1  0.62797787  0.90195926  0.61253127  1
  O  O75  1  0.87373255  0.28858306  0.38845420  1
  O  O76  1  0.37202196  0.09804112  0.38746824  1
  O  O77  1  0.12626965  0.71141824  0.61154608  1
