# generated using pymatgen
data_Mn2VFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11818464
_cell_length_b   10.13636199
_cell_length_c   12.55804104
_cell_angle_alpha   90.03808232
_cell_angle_beta   89.98262927
_cell_angle_gamma   106.45033651
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VFeH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Fe1 H28 C28 N32'
_cell_volume   991.08551738
_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  0.16293982  0.13261952  0.55323059  1
  V  V1  1  0.34142111  0.87285452  0.05409184  1
  Mn  Mn2  1  0.83687868  0.86764164  0.44877179  1
  Fe  Fe3  1  0.66919768  0.13082420  0.94188795  1
  H  H4  1  0.11396461  0.44907176  0.57983892  1
  H  H5  1  0.38710509  0.54972654  0.08149804  1
  H  H6  1  0.88401126  0.55031688  0.41923826  1
  H  H7  1  0.61267746  0.45001942  0.92046279  1
  H  H8  1  0.18694962  0.64920347  0.45993681  1
  H  H9  1  0.31290945  0.35092604  0.96147859  1
  H  H10  1  0.81151994  0.35039647  0.53933088  1
  H  H11  1  0.68601982  0.64875884  0.03939447  1
  H  H12  1  0.38804475  0.65453468  0.30414099  1
  H  H13  1  0.11292167  0.34730102  0.80463189  1
  H  H14  1  0.61160794  0.34585446  0.69615198  1
  H  H15  1  0.88826201  0.65431970  0.19562145  1
  H  H16  1  0.50306329  0.45062526  0.27826082  1
  H  H17  1  0.99898352  0.55126641  0.77954506  1
  H  H18  1  0.49767338  0.54977483  0.72205210  1
  H  H19  1  0.00242426  0.45005972  0.22134334  1
  H  H20  1  0.52858589  0.23223104  0.34491742  1
  H  H21  1  0.97616802  0.77181661  0.84651106  1
  H  H22  1  0.47156203  0.76885417  0.65501159  1
  H  H23  1  0.02481286  0.22835200  0.15405480  1
  H  H24  1  0.50184565  0.00453712  0.37724290  1
  H  H25  1  1.00265587  0.99597298  0.87764460  1
  H  H26  1  0.49847962  0.99585805  0.62215197  1
  H  H27  1  -0.00079846  0.00744905  0.12265135  1
  H  H28  1  0.33146891  0.90315470  0.45738320  1
  H  H29  1  0.16966694  0.09967080  0.95885318  1
  H  H30  1  0.66914783  0.09722753  0.54218614  1
  H  H31  1  0.83313466  0.90193953  0.04257165  1
  C  C32  1  0.19429662  0.44889585  0.51023052  1
  C  C33  1  0.30815060  0.55178841  0.01137182  1
  C  C34  1  0.80449882  0.55084913  0.48920750  1
  C  C35  1  0.69351434  0.44859995  0.98972502  1
  C  C36  1  0.23896655  0.56340173  0.44334685  1
  C  C37  1  0.26218176  0.43736820  0.94458553  1
  C  C38  1  0.76000205  0.43642036  0.55615016  1
  C  C39  1  0.73823427  0.56319340  0.05657887  1
  C  C40  1  0.35045370  0.56635007  0.35743380  1
  C  C41  1  0.15109385  0.43519732  0.85839440  1
  C  C42  1  0.64932308  0.43374300  0.64246990  1
  C  C43  1  0.85013502  0.56612809  0.14227025  1
  C  C44  1  0.41533116  0.45531228  0.34286136  1
  C  C45  1  0.08730983  0.54665954  0.84380238  1
  C  C46  1  0.58484000  0.54494907  0.65717303  1
  C  C47  1  0.91460152  0.45494336  0.15685519  1
  C  C48  1  0.36215740  0.34188313  0.41216208  1
  C  C49  1  0.14185919  0.66063005  0.91279121  1
  C  C50  1  0.63753149  0.65830392  0.58776756  1
  C  C51  1  0.86089900  0.34129492  0.08750677  1
  C  C52  1  0.42477190  0.22366296  0.40264846  1
  C  C53  1  0.07955753  0.77841638  0.90411743  1
  C  C54  1  0.57515789  0.77653233  0.59729434  1
  C  C55  1  0.92193121  0.22255460  0.09640328  1
  C  C56  1  0.43599968  -0.00090093  0.45438614  1
  C  C57  1  0.06624686  1.00297449  0.95566763  1
  C  C58  1  0.56453786  1.00132892  0.54507719  1
  C  C59  1  0.93480341  -0.00045450  0.04479873  1
  N  N60  1  0.24740137  0.33596947  0.49346156  1
  N  N61  1  0.25809892  0.66622535  0.99366107  1
  N  N62  1  0.75201079  0.66405715  0.50627701  1
  N  N63  1  0.74671434  0.33583518  0.00607388  1
  N  N64  1  0.35891280  0.11380455  0.45925721  1
  N  N65  1  0.14430938  0.88867019  0.96225628  1
  N  N66  1  0.64111126  0.88637850  0.54046901  1
  N  N67  1  0.85511766  0.11299744  0.03867825  1
  N  N68  1  0.03278015  0.91503358  0.57396927  1
  N  N69  1  0.46733359  0.07726368  0.06754724  1
  N  N70  1  0.96654683  0.08433347  0.42675422  1
  N  N71  1  0.51929564  0.91327091  0.93017301  1
  N  N72  1  0.09270177  0.83075052  0.61494030  1
  N  N73  1  0.41104325  0.16357823  0.11078344  1
  N  N74  1  0.90695393  0.16859672  0.38539556  1
  N  N75  1  0.58363774  0.83052895  0.88890296  1
  N  N76  1  0.15436306  0.74907831  0.64947110  1
  N  N77  1  0.35295352  0.24579339  0.14684336  1
  N  N78  1  0.84562355  0.25027010  0.35049507  1
  N  N79  1  0.65200312  0.75455386  0.85296202  1
  N  N80  1  0.95640363  0.19649620  0.65813714  1
  N  N81  1  0.52187393  0.80286644  0.14734163  1
  N  N82  1  0.04535492  0.80446293  0.34388115  1
  N  N83  1  0.47091363  0.19806886  0.85237551  1
  N  N84  1  0.86817765  0.15754628  0.73316239  1
  N  N85  1  0.61762279  0.84201443  0.22051010  1
  N  N86  1  0.13228126  0.84161725  0.26856731  1
  N  N87  1  0.38077369  0.15719649  0.77768505  1
  N  N88  1  0.77264773  0.12064822  0.80571516  1
  N  N89  1  0.71500147  0.87599782  0.29126644  1
  N  N90  1  0.22084063  0.87258920  0.19207439  1
  N  N91  1  0.28551126  0.12033761  0.70575891  1
