# generated using pymatgen
data_MnVFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89203275
_cell_length_b   10.89354203
_cell_length_c   11.00640630
_cell_angle_alpha   88.99703516
_cell_angle_beta   88.76234101
_cell_angle_gamma   63.65686725
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVFeH8C14(NO)6
_chemical_formula_sum   'Mn2 V2 Fe2 H16 C28 N12 O12'
_cell_volume   1170.00381255
_cell_formula_units_Z   2
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  0.90967008  0.08937007  0.24730582  1
  V  V1  1  0.09032922  0.91063137  0.75269336  1
  Fe  Fe2  1  0.85224318  0.99306866  -0.01068170  1
  Mn  Mn3  1  -0.00002783  0.15376013  0.50983033  1
  Fe  Fe4  1  0.14775774  0.00693014  1.01068129  1
  Mn  Mn5  1  1.00002521  0.84624316  0.49016956  1
  H  H6  1  0.53714294  0.17396311  0.40763686  1
  H  H7  1  0.82355937  0.46149194  0.08693794  1
  H  H8  1  0.46285978  0.82603057  0.59236435  1
  H  H9  1  0.17644608  0.53850600  0.91305897  1
  H  H10  1  0.33608505  0.15841079  0.50727941  1
  H  H11  1  0.83441487  0.66383549  0.98590845  1
  H  H12  1  0.66391535  0.84158697  0.49272026  1
  H  H13  1  0.16559482  0.33616098  0.01408855  1
  H  H14  1  0.42560057  0.07573982  0.05899594  1
  H  H15  1  0.93182945  0.57283706  0.43133547  1
  H  H16  1  0.57440180  0.92425506  0.94100548  1
  H  H17  1  0.06816063  0.42716917  0.56866539  1
  H  H18  1  0.88778853  0.21137037  0.04119387  1
  H  H19  1  0.78407729  0.10697351  0.44423893  1
  H  H20  1  0.11221111  0.78862929  0.95880442  1
  H  H21  1  0.21592138  0.89302949  0.55575910  1
  C  C22  1  0.62614956  0.11623924  0.17179646  1
  C  C23  1  0.88478408  0.37454012  0.32377706  1
  C  C24  1  0.37385164  0.88375731  0.82820329  1
  C  C25  1  0.11521398  0.62546220  0.67622205  1
  C  C26  1  0.49887084  0.11874751  0.22803732  1
  C  C27  1  0.88217231  0.50037206  0.26481643  1
  C  C28  1  0.50113046  0.88124841  0.77196458  1
  C  C29  1  0.11782621  0.49962923  0.73518237  1
  C  C30  1  0.47004114  0.14638780  0.35409856  1
  C  C31  1  0.85147420  0.52918918  0.13941423  1
  C  C32  1  0.52996184  0.85360784  0.64590222  1
  C  C33  1  0.14852946  0.47081093  0.86058388  1
  C  C34  1  0.35796335  0.13885168  0.41067394  1
  C  C35  1  0.85665083  0.64195324  0.08206938  1
  C  C36  1  0.64203626  0.86114671  0.58933003  1
  C  C37  1  0.14335467  0.35804442  0.91792891  1
  C  C38  1  0.27324238  0.10373087  0.33937182  1
  C  C39  1  0.89393084  0.72655492  0.15139911  1
  C  C40  1  0.72675630  0.89626858  0.66062662  1
  C  C41  1  0.10607154  0.27344489  0.84859996  1
  C  C42  1  0.29897570  0.08022647  0.21414851  1
  C  C43  1  0.92364797  0.69876435  0.27529545  1
  C  C44  1  0.70102440  0.91977199  0.78585317  1
  C  C45  1  0.07634969  0.30123833  0.72470447  1
  C  C46  1  0.40971683  0.09041813  0.15651269  1
  C  C47  1  0.91392187  0.58863390  0.33441466  1
  C  C48  1  0.59028528  0.90957776  0.84348781  1
  C  C49  1  0.08607312  0.41136999  0.66558533  1
  N  N50  1  0.16147320  0.08247256  0.36927642  1
  N  N51  1  0.91406062  0.83987885  0.12261504  1
  N  N52  1  0.83852428  0.91753060  0.63072419  1
  N  N53  1  0.08594176  0.16012037  0.87738475  1
  N  N54  1  0.11671698  0.04938155  0.26808962  1
  N  N55  1  0.95276856  0.88104834  0.22442309  1
  N  N56  1  0.88328143  0.95062053  0.73191062  1
  N  N57  1  0.04723083  0.11895299  0.77557732  1
  N  N58  1  0.20038738  0.04498815  0.17300520  1
  N  N59  1  0.96378086  0.79358900  0.31580094  1
  N  N60  1  0.79961255  0.95501163  0.82699512  1
  N  N61  1  0.03621383  0.20641409  0.68419976  1
  O  O62  1  0.93132191  0.11498022  0.06604560  1
  O  O63  1  0.88286088  0.06634839  0.42812588  1
  O  O64  1  0.06867783  0.88502036  0.93395300  1
  O  O65  1  0.11713744  0.93365459  0.57187352  1
  O  O66  1  0.70345837  0.14317933  0.24222890  1
  O  O67  1  0.85745855  0.29502010  0.25662489  1
  O  O68  1  0.29654096  0.85682129  0.75777211  1
  O  O69  1  0.14254065  0.70498168  0.74337302  1
  O  O70  1  0.65216634  0.08435437  0.06031737  1
  O  O71  1  0.91744217  0.35218749  0.43527381  1
  O  O72  1  0.34783621  0.91563989  0.93968606  1
  O  O73  1  0.08255344  0.64781538  0.56472577  1
