# generated using pymatgen
data_Mn2VFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11804119
_cell_length_b   10.13802813
_cell_length_c   12.55702737
_cell_angle_alpha   90.04008473
_cell_angle_beta   89.97360824
_cell_angle_gamma   106.45568477
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VFeH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Fe1 H28 C28 N32'
_cell_volume   991.12352217
_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
  V  V0  1  0.15587272  0.12690308  0.55302408  1
  Fe  Fe1  1  0.33644620  0.87360811  0.05722583  1
  Mn  Mn2  1  0.83633998  0.86680987  0.44329868  1
  Mn  Mn3  1  0.66112781  0.13124207  0.94947077  1
  H  H4  1  0.11121168  0.44981295  0.58140318  1
  H  H5  1  0.38535548  0.54868355  0.08105687  1
  H  H6  1  0.88407017  0.54966477  0.41890873  1
  H  H7  1  0.61355735  0.44837688  0.91995844  1
  H  H8  1  0.18521989  0.64853208  0.46113084  1
  H  H9  1  0.31239374  0.35070561  0.96120828  1
  H  H10  1  0.81216116  0.35021353  0.53877960  1
  H  H11  1  0.68603759  0.64856832  0.03990196  1
  H  H12  1  0.38549364  0.65246569  0.30508948  1
  H  H13  1  0.11200775  0.34677178  0.80467485  1
  H  H14  1  0.61243815  0.34580707  0.69572975  1
  H  H15  1  0.88855208  0.65427281  0.19551098  1
  H  H16  1  0.50016908  0.44852245  0.27957690  1
  H  H17  1  0.99985407  0.55225910  0.77880273  1
  H  H18  1  0.49977460  0.55087853  0.72244475  1
  H  H19  1  0.00257958  0.45072057  0.22133397  1
  H  H20  1  0.52535670  0.22897571  0.34717433  1
  H  H21  1  0.97362566  0.77095467  0.84843153  1
  H  H22  1  0.47291374  0.76776710  0.65488843  1
  H  H23  1  0.02967245  0.23188406  0.15358058  1
  H  H24  1  0.49597522  0.00173739  0.37742027  1
  H  H25  1  1.00357851  0.99652831  0.87829416  1
  H  H26  1  0.50095692  0.99654595  0.62273739  1
  H  H27  1  -0.00193112  0.00284034  0.12353254  1
  H  H28  1  0.32899095  0.89955275  0.45940717  1
  H  H29  1  0.17007281  0.09934966  0.96001455  1
  H  H30  1  0.66742829  0.09737554  0.54014050  1
  H  H31  1  0.83156005  0.90199610  0.04068328  1
  C  C32  1  0.19073826  0.44790325  0.51150410  1
  C  C33  1  0.30556954  0.55097892  0.01145408  1
  C  C34  1  0.80546849  0.55059016  0.48928022  1
  C  C35  1  0.69274720  0.44778671  0.99002917  1
  C  C36  1  0.23636785  0.56216791  0.44463505  1
  C  C37  1  0.26092210  0.43672388  0.94422709  1
  C  C38  1  0.76109038  0.43626931  0.55637111  1
  C  C39  1  0.73767639  0.56258170  0.05663601  1
  C  C40  1  0.34776051  0.56446337  0.35860047  1
  C  C41  1  0.15007468  0.43478999  0.85816286  1
  C  C42  1  0.65049861  0.43407738  0.64258850  1
  C  C43  1  0.84951325  0.56584045  0.14239903  1
  C  C44  1  0.41198124  0.45318599  0.34394043  1
  C  C45  1  0.08637927  0.54635790  0.84378001  1
  C  C46  1  0.58689861  0.54569181  0.65759453  1
  C  C47  1  0.91424281  0.45476203  0.15695866  1
  C  C48  1  0.35790390  0.33933042  0.41301287  1
  C  C49  1  0.13979104  0.65950877  0.91379827  1
  C  C50  1  0.64003337  0.65892995  0.58810306  1
  C  C51  1  0.86069336  0.34081469  0.08811425  1
  C  C52  1  0.42064423  0.22153333  0.40403626  1
  C  C53  1  0.07842217  0.77837287  0.90503146  1
  C  C54  1  0.57711968  0.77700301  0.59723592  1
  C  C55  1  0.92410733  0.22307496  0.09708567  1
  C  C56  1  0.43246849  -0.00380009  0.45543111  1
  C  C57  1  0.06726527  1.00245129  0.95627600  1
  C  C58  1  0.56417000  1.00082212  0.54477834  1
  C  C59  1  0.93528967  -0.00179041  0.04546709  1
  N  N60  1  0.24203261  0.33394545  0.49414439  1
  N  N61  1  0.25277181  0.66390880  0.99557456  1
  N  N62  1  0.75446341  0.66421678  0.50680632  1
  N  N63  1  0.74461349  0.33437654  0.00746229  1
  N  N64  1  0.35429856  0.11062620  0.46091052  1
  N  N65  1  0.14623526  0.88858999  0.96154311  1
  N  N66  1  0.64228418  0.88664666  0.54021268  1
  N  N67  1  0.85731707  0.11251159  0.04107132  1
  N  N68  1  0.04296640  0.92236740  0.57514743  1
  N  N69  1  0.46987692  0.08229747  0.07675574  1
  N  N70  1  0.98133437  0.09002358  0.42773713  1
  N  N71  1  0.52353801  0.91513867  0.92885336  1
  N  N72  1  0.10017802  0.83648589  0.61701769  1
  N  N73  1  0.40431597  0.16432115  0.11695453  1
  N  N74  1  0.91755849  0.17341749  0.38796079  1
  N  N75  1  0.58411507  0.82918320  0.89032905  1
  N  N76  1  0.15546414  0.75175654  0.65163477  1
  N  N77  1  0.34065124  0.24530826  0.15026567  1
  N  N78  1  0.84831723  0.24915332  0.35263280  1
  N  N79  1  0.65066111  0.75151054  0.85440746  1
  N  N80  1  0.97732744  0.19596809  0.64819973  1
  N  N81  1  0.52923871  0.80131726  0.14919860  1
  N  N82  1  0.04612776  0.80791694  0.34368595  1
  N  N83  1  0.45239926  0.19118046  0.84547871  1
  N  N84  1  0.88290739  0.15588920  0.72189380  1
  N  N85  1  0.62017487  0.84413722  0.22309304  1
  N  N86  1  0.12954305  0.84051815  0.26563749  1
  N  N87  1  0.37008023  0.15976737  0.76754978  1
  N  N88  1  0.78603774  0.12030353  0.79274893  1
  N  N89  1  0.71832703  0.88586300  0.29302903  1
  N  N90  1  0.22334404  0.87357660  0.19211149  1
  N  N91  1  0.28680552  0.13704488  0.68859761  1
