# generated using pymatgen
data_Mn2VFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11813867
_cell_length_b   10.13584170
_cell_length_c   12.55841362
_cell_angle_alpha   90.02973125
_cell_angle_beta   89.99544508
_cell_angle_gamma   106.44683922
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VFeH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Fe1 H28 C28 N32'
_cell_volume   991.07638559
_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  0.16964008  0.13118410  0.55925776  1
  Mn  Mn1  1  0.33776349  0.86758901  0.05202194  1
  V  V2  1  0.84207141  0.87306689  0.44544310  1
  Mn  Mn3  1  0.66245088  0.13281218  0.94609755  1
  H  H4  1  0.11262644  0.44968735  0.57964115  1
  H  H5  1  0.38421281  0.55003068  0.07998824  1
  H  H6  1  0.88672554  0.55007107  0.41846398  1
  H  H7  1  0.61391015  0.44951465  0.92103971  1
  H  H8  1  0.18562187  0.64847396  0.46075303  1
  H  H9  1  0.31090814  0.34975948  0.95997924  1
  H  H10  1  0.81281854  0.35094454  0.53842764  1
  H  H11  1  0.68777906  0.64991002  0.04083783  1
  H  H12  1  0.38715646  0.65387455  0.30432870  1
  H  H13  1  0.11088593  0.34542645  0.80338888  1
  H  H14  1  0.61351643  0.34749509  0.69527040  1
  H  H15  1  0.88945665  0.65523983  0.19617754  1
  H  H16  1  0.50231888  0.44992520  0.27860035  1
  H  H17  1  0.99678934  0.54928390  0.77792056  1
  H  H18  1  0.49873803  0.55109254  0.72055631  1
  H  H19  1  0.00433855  0.45125975  0.22175475  1
  H  H20  1  0.52505944  0.22828659  0.34560707  1
  H  H21  1  0.97217913  0.76897863  0.84417688  1
  H  H22  1  0.47589994  0.77227178  0.65350688  1
  H  H23  1  0.02813636  0.23207614  0.15580966  1
  H  H24  1  0.50029953  0.00806782  0.37710317  1
  H  H25  1  0.99840142  0.99545808  0.87763677  1
  H  H26  1  0.50150841  0.99502306  0.62213001  1
  H  H27  1  0.00222538  0.00519197  0.12268869  1
  H  H28  1  0.33353770  0.90232367  0.45634566  1
  H  H29  1  0.16909377  0.09664890  0.95739468  1
  H  H30  1  0.66904940  0.09901784  0.54188539  1
  H  H31  1  0.83180542  0.90382655  0.04281389  1
  C  C32  1  0.19358583  0.44840786  0.51040319  1
  C  C33  1  0.30406189  0.55038728  0.01032952  1
  C  C34  1  0.80763681  0.55179494  0.48854233  1
  C  C35  1  0.69483031  0.44938004  0.99034654  1
  C  C36  1  0.23800787  0.56295011  0.44358933  1
  C  C37  1  0.25940633  0.43584222  0.94339018  1
  C  C38  1  0.76200430  0.43740657  0.55527246  1
  C  C39  1  0.73982300  0.56406206  0.05717842  1
  C  C40  1  0.34980390  0.56590744  0.35784577  1
  C  C41  1  0.14849043  0.43316960  0.85725276  1
  C  C42  1  0.65102120  0.43526288  0.64149140  1
  C  C43  1  0.85166895  0.56707735  0.14286137  1
  C  C44  1  0.41468845  0.45490933  0.34319767  1
  C  C45  1  0.08406563  0.54441029  0.84269519  1
  C  C46  1  0.58686103  0.54655776  0.65615321  1
  C  C47  1  0.91646351  0.45600089  0.15729266  1
  C  C48  1  0.36133186  0.34131782  0.41250242  1
  C  C49  1  0.13697183  0.65780185  0.91212001  1
  C  C50  1  0.64107290  0.66042348  0.58714815  1
  C  C51  1  0.86300293  0.34249590  0.08799020  1
  C  C52  1  0.42237823  0.22258065  0.40344031  1
  C  C53  1  0.07497247  0.77621089  0.90241904  1
  C  C54  1  0.57900922  0.77833298  0.59578780  1
  C  C55  1  0.92517337  0.22411488  0.09754616  1
  C  C56  1  0.43527128  -0.00016412  0.45476525  1
  C  C57  1  0.06433290  1.00087100  0.95476905  1
  C  C58  1  0.56566697  1.00233417  0.54432154  1
  C  C59  1  0.93635698  -0.00025828  0.04554347  1
  N  N60  1  0.24728749  0.33586052  0.49408023  1
  N  N61  1  0.25133725  0.66351160  0.99361959  1
  N  N62  1  0.75716422  0.66600212  0.50616609  1
  N  N63  1  0.74818974  0.33657014  0.00675139  1
  N  N64  1  0.35577243  0.11328918  0.46137081  1
  N  N65  1  0.14071012  0.88567365  0.95976336  1
  N  N66  1  0.64388743  0.88806186  0.53715481  1
  N  N67  1  0.85962963  0.11469952  0.04025585  1
  N  N68  1  0.01843396  0.91283638  0.57025169  1
  N  N69  1  0.46753181  0.08508331  0.07329488  1
  N  N70  1  0.96718290  0.07736198  0.43219017  1
  N  N71  1  0.53264566  0.91455143  0.92644405  1
  N  N72  1  0.08281997  0.82982281  0.61100573  1
  N  N73  1  0.40772795  0.16935731  0.11450795  1
  N  N74  1  0.91089652  0.16373713  0.38919590  1
  N  N75  1  0.59235900  0.83012707  0.88541685  1
  N  N76  1  0.15198283  0.75443710  0.64691936  1
  N  N77  1  0.34626106  0.25115062  0.14918138  1
  N  N78  1  0.85322226  0.24624888  0.35319507  1
  N  N79  1  0.65384196  0.74831182  0.85083511  1
  N  N80  1  0.97007606  0.19878496  0.64772880  1
  N  N81  1  0.54222041  0.80336857  0.15634532  1
  N  N82  1  0.02295878  0.80298238  0.35350720  1
  N  N83  1  0.45830538  0.19695770  0.84249963  1
  N  N84  1  0.87993212  0.15727598  0.72230556  1
  N  N85  1  0.63118059  0.84088084  0.23088774  1
  N  N86  1  0.11786079  0.84217093  0.27992794  1
  N  N87  1  0.36955195  0.15855767  0.76754080  1
  N  N88  1  0.78336390  0.11726376  0.79321997  1
  N  N89  1  0.72187097  0.87222662  0.30639608  1
  N  N90  1  0.21534339  0.87836065  0.20946915  1
  N  N91  1  0.27357349  0.12109167  0.69534157  1
