# generated using pymatgen
data_Mn2CrFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11855399
_cell_length_b   10.13729048
_cell_length_c   12.55737752
_cell_angle_alpha   90.03617813
_cell_angle_beta   89.99070691
_cell_angle_gamma   106.44764199
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrFeH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Fe1 H28 C28 N32'
_cell_volume   991.18281374
_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  0.16369248  0.12661160  0.55676419  1
  Cr  Cr1  1  0.34783141  0.87163859  0.05398165  1
  Mn  Mn2  1  0.84129488  0.86763125  0.44855741  1
  Mn  Mn3  1  0.66236415  0.13176420  0.94522376  1
  H  H4  1  0.11292662  0.45023692  0.58051524  1
  H  H5  1  0.38533648  0.54925069  0.08184769  1
  H  H6  1  0.88474533  0.55091014  0.41866751  1
  H  H7  1  0.61419687  0.44936472  0.92026251  1
  H  H8  1  0.18597234  0.64853890  0.46060344  1
  H  H9  1  0.31276519  0.35156048  0.96101246  1
  H  H10  1  0.81263376  0.35095169  0.53893014  1
  H  H11  1  0.68678713  0.64939508  0.04045539  1
  H  H12  1  0.38737395  0.65321763  0.30497689  1
  H  H13  1  0.11286460  0.34809834  0.80450537  1
  H  H14  1  0.61275602  0.34666729  0.69561497  1
  H  H15  1  0.88927524  0.65499275  0.19556990  1
  H  H16  1  0.50118553  0.44864085  0.27915260  1
  H  H17  1  0.99983218  0.55196458  0.77887526  1
  H  H18  1  0.49879786  0.55038117  0.72165756  1
  H  H19  1  0.00239195  0.45051981  0.22201709  1
  H  H20  1  0.52677109  0.22936387  0.34791021  1
  H  H21  1  0.97414463  0.77150139  0.84670369  1
  H  H22  1  0.47152991  0.76834521  0.65355431  1
  H  H23  1  0.02777266  0.23277846  0.15518994  1
  H  H24  1  0.49814660  0.00448479  0.37759783  1
  H  H25  1  1.00372629  0.99844992  0.87765938  1
  H  H26  1  0.50195577  0.99713646  0.62263012  1
  H  H27  1  0.00060698  0.00396183  0.12266891  1
  H  H28  1  0.33123387  0.90085008  0.45854186  1
  H  H29  1  0.17116826  0.10074787  0.95923426  1
  H  H30  1  0.66909236  0.09804131  0.54042673  1
  H  H31  1  0.83375595  0.90288725  0.04045991  1
  C  C32  1  0.19330796  0.44834861  0.51110767  1
  C  C33  1  0.30508703  0.55154567  0.01243234  1
  C  C34  1  0.80613636  0.55161854  0.48902095  1
  C  C35  1  0.69369664  0.44883928  0.99023161  1
  C  C36  1  0.23783133  0.56259171  0.44406987  1
  C  C37  1  0.26092664  0.43763453  0.94496944  1
  C  C38  1  0.76143938  0.43715947  0.55585462  1
  C  C39  1  0.73833513  0.56335810  0.05720094  1
  C  C40  1  0.34937970  0.56504719  0.35824541  1
  C  C41  1  0.15031364  0.43555246  0.85865986  1
  C  C42  1  0.65079261  0.43473001  0.64216904  1
  C  C43  1  0.85019882  0.56626070  0.14284567  1
  C  C44  1  0.41373822  0.45381137  0.34378770  1
  C  C45  1  0.08601582  0.54690133  0.84424553  1
  C  C46  1  0.58636583  0.54595181  0.65691297  1
  C  C47  1  0.91428434  0.45486152  0.15757996  1
  C  C48  1  0.36027052  0.34050065  0.41349986  1
  C  C49  1  0.13833284  0.66002277  0.91419429  1
  C  C50  1  0.63949696  0.65937989  0.58768679  1
  C  C51  1  0.86055508  0.34126187  0.08836208  1
  C  C52  1  0.42201393  0.22185509  0.40458063  1
  C  C53  1  0.07792650  0.77926368  0.90435908  1
  C  C54  1  0.57648194  0.77735845  0.59659649  1
  C  C55  1  0.92365887  0.22330947  0.09749175  1
  C  C56  1  0.43373743  -0.00201680  0.45537901  1
  C  C57  1  0.06824470  1.00387154  0.95530685  1
  C  C58  1  0.56531815  1.00181862  0.54474117  1
  C  C59  1  0.93692504  -0.00054693  0.04491134  1
  N  N60  1  0.24694886  0.33576538  0.49519692  1
  N  N61  1  0.25124095  0.66449703  0.99668832  1
  N  N62  1  0.75493957  0.66533623  0.50681525  1
  N  N63  1  0.74570470  0.33554877  0.00723343  1
  N  N64  1  0.35427681  0.11157182  0.46095238  1
  N  N65  1  0.14721279  0.88981786  0.96033596  1
  N  N66  1  0.64306654  0.88730676  0.54012583  1
  N  N67  1  0.85833487  0.11335448  0.04073729  1
  N  N68  1  0.03066685  0.91796559  0.57670435  1
  N  N69  1  0.46349483  0.07785461  0.07681377  1
  N  N70  1  0.97704160  0.08494264  0.42859207  1
  N  N71  1  0.51686961  0.90838657  0.92888770  1
  N  N72  1  0.09567497  0.83551675  0.61670295  1
  N  N73  1  0.40287070  0.16286067  0.11675601  1
  N  N74  1  0.91602141  0.17040555  0.38986747  1
  N  N75  1  0.58207838  0.82650839  0.88824397  1
  N  N76  1  0.15834777  0.75382208  0.64970830  1
  N  N77  1  0.34446300  0.24700360  0.14964254  1
  N  N78  1  0.84938816  0.24800185  0.35399035  1
  N  N79  1  0.65194574  0.75103008  0.85258597  1
  N  N80  1  0.96927438  0.19773026  0.64907346  1
  N  N81  1  0.53259987  0.80629499  0.14676495  1
  N  N82  1  0.04405290  0.80820872  0.34626137  1
  N  N83  1  0.45421059  0.19337669  0.84300675  1
  N  N84  1  0.87966101  0.15552726  0.72366486  1
  N  N85  1  0.62161366  0.84548719  0.22254255  1
  N  N86  1  0.12725625  0.83981086  0.26827928  1
  N  N87  1  0.37021780  0.15977637  0.76531082  1
  N  N88  1  0.78369431  0.11642945  0.79503186  1
  N  N89  1  0.71615934  0.88166056  0.29450619  1
  N  N90  1  0.20873994  0.86097391  0.18886350  1
  N  N91  1  0.27619914  0.12606763  0.69191532  1
