# generated using pymatgen
data_Mn3FeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11904873
_cell_length_b   10.13744446
_cell_length_c   12.55943132
_cell_angle_alpha   90.03154544
_cell_angle_beta   89.99972078
_cell_angle_gamma   106.44645440
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3FeH28(C7N8)4
_chemical_formula_sum   'Mn3 Fe1 H28 C28 N32'
_cell_volume   991.42649644
_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  0.16288862  0.12556457  0.55724618  1
  Mn  Mn1  1  0.34121303  0.86590698  0.05194961  1
  Mn  Mn2  1  0.84146520  0.86720306  0.44718539  1
  Mn  Mn3  1  0.66112049  0.13225427  0.94681265  1
  H  H4  1  0.11308021  0.45035204  0.58021821  1
  H  H5  1  0.38409269  0.55022697  0.08077082  1
  H  H6  1  0.88441811  0.55069270  0.41888508  1
  H  H7  1  0.61422460  0.44928480  0.92025969  1
  H  H8  1  0.18573772  0.64856094  0.46073496  1
  H  H9  1  0.31108819  0.34976820  0.96022936  1
  H  H10  1  0.81224669  0.35036794  0.53926290  1
  H  H11  1  0.68730355  0.64956019  0.04056997  1
  H  H12  1  0.38765201  0.65316274  0.30437948  1
  H  H13  1  0.11108712  0.34567193  0.80398477  1
  H  H14  1  0.61273684  0.34636296  0.69582290  1
  H  H15  1  0.88988088  0.65480644  0.19583692  1
  H  H16  1  0.50097977  0.44843824  0.27893098  1
  H  H17  1  0.99830510  0.55008118  0.77786974  1
  H  H18  1  0.49881084  0.55040127  0.72181895  1
  H  H19  1  0.00262763  0.45032511  0.22183892  1
  H  H20  1  0.52608151  0.22912409  0.34718042  1
  H  H21  1  0.97243489  0.76834189  0.84544381  1
  H  H22  1  0.47198259  0.76775184  0.65417168  1
  H  H23  1  0.02832188  0.23247298  0.15492336  1
  H  H24  1  0.49887448  0.00499997  0.37736956  1
  H  H25  1  1.00216230  0.99793386  0.87790867  1
  H  H26  1  0.50216082  0.99764061  0.62249116  1
  H  H27  1  0.00006546  0.00327300  0.12290608  1
  H  H28  1  0.33223762  0.90141435  0.45815136  1
  H  H29  1  0.17103951  0.09713821  0.95953446  1
  H  H30  1  0.66971635  0.09760225  0.54050267  1
  H  H31  1  0.83159019  0.90325829  0.04112328  1
  C  C32  1  0.19355894  0.44849919  0.51085166  1
  C  C33  1  0.30500081  0.55058414  0.01064178  1
  C  C34  1  0.80571156  0.55116267  0.48919309  1
  C  C35  1  0.69405719  0.44898406  0.99007838  1
  C  C36  1  0.23794864  0.56289480  0.44386700  1
  C  C37  1  0.26005893  0.43609648  0.94368249  1
  C  C38  1  0.76107876  0.43664907  0.55603805  1
  C  C39  1  0.73913429  0.56360844  0.05692712  1
  C  C40  1  0.34941067  0.56534200  0.35802804  1
  C  C41  1  0.14928374  0.43375814  0.85746497  1
  C  C42  1  0.65045869  0.43434507  0.64231407  1
  C  C43  1  0.85080731  0.56645876  0.14269311  1
  C  C44  1  0.41364310  0.45401733  0.34352241  1
  C  C45  1  0.08544106  0.54525667  0.84270826  1
  C  C46  1  0.58617310  0.54561529  0.65706133  1
  C  C47  1  0.91480103  0.45500081  0.15735347  1
  C  C48  1  0.36028058  0.34067454  0.41321512  1
  C  C49  1  0.13866509  0.65860618  0.91209420  1
  C  C50  1  0.63931407  0.65897962  0.58775315  1
  C  C51  1  0.86124332  0.34149301  0.08812509  1
  C  C52  1  0.42183857  0.22187518  0.40422161  1
  C  C53  1  0.07636116  0.77696316  0.90303792  1
  C  C54  1  0.57633900  0.77712333  0.59672877  1
  C  C55  1  0.92422393  0.22338841  0.09729612  1
  C  C56  1  0.43469364  -0.00159466  0.45515816  1
  C  C57  1  0.06626683  1.00153909  0.95549363  1
  C  C58  1  0.56550587  1.00169720  0.54466939  1
  C  C59  1  0.93605162  -0.00099011  0.04526169  1
  N  N60  1  0.24739767  0.33607958  0.49507432  1
  N  N61  1  0.25305432  0.66405862  0.99335826  1
  N  N62  1  0.75427181  0.66475250  0.50683282  1
  N  N63  1  0.74639931  0.33571297  0.00696529  1
  N  N64  1  0.35504630  0.11184638  0.46098795  1
  N  N65  1  0.14262281  0.88618172  0.96044069  1
  N  N66  1  0.64237313  0.88655214  0.53969765  1
  N  N67  1  0.85883129  0.11376900  0.04030607  1
  N  N68  1  0.02957397  0.91794921  0.57741928  1
  N  N69  1  0.46591535  0.08384864  0.07327225  1
  N  N70  1  0.97793654  0.08570898  0.42930148  1
  N  N71  1  0.53270388  0.91489737  0.92503534  1
  N  N72  1  0.09500155  0.83536748  0.61676721  1
  N  N73  1  0.40559711  0.16773515  0.11467050  1
  N  N74  1  0.91684433  0.17103556  0.39057800  1
  N  N75  1  0.59359663  0.83063013  0.88477154  1
  N  N76  1  0.15784829  0.75335483  0.64890237  1
  N  N77  1  0.34526163  0.25007821  0.14944203  1
  N  N78  1  0.85002222  0.24821146  0.35411982  1
  N  N79  1  0.65587823  0.74903754  0.85081867  1
  N  N80  1  0.96826881  0.19747053  0.64919634  1
  N  N81  1  0.52901305  0.80125463  0.14989004  1
  N  N82  1  0.03236667  0.80330970  0.35203221  1
  N  N83  1  0.45516927  0.19407264  0.84220941  1
  N  N84  1  0.87946415  0.15707585  0.72442446  1
  N  N85  1  0.62028924  0.84178695  0.22419656  1
  N  N86  1  0.12046016  0.84156852  0.27605284  1
  N  N87  1  0.37043982  0.15896523  0.76501588  1
  N  N88  1  0.78458077  0.11905172  0.79638179  1
  N  N89  1  0.71788860  0.88318886  0.29439382  1
  N  N90  1  0.21480935  0.88072196  0.20405218  1
  N  N91  1  0.27610235  0.12677055  0.69161166  1
