# generated using pymatgen
data_MnVFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89958936
_cell_length_b   10.88448237
_cell_length_c   11.01461586
_cell_angle_alpha   88.95543541
_cell_angle_beta   88.78910947
_cell_angle_gamma   63.66006470
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVFeH8C14(NO)6
_chemical_formula_sum   'Mn2 V2 Fe2 H16 C28 N12 O12'
_cell_volume   1170.74700459
_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  0.91106493  0.09072361  0.25328611  1
  V  V1  1  0.08893440  0.90927691  0.74671298  1
  Mn  Mn2  1  0.84630358  1.00047766  -0.00953745  1
  Fe  Fe3  1  0.00813660  0.14777384  0.51067286  1
  Mn  Mn4  1  0.15369748  -0.00047847  1.00953732  1
  Fe  Fe5  1  0.99185630  0.85223017  0.48932843  1
  H  H6  1  0.53902193  0.17507735  0.41427449  1
  H  H7  1  0.82476962  0.46338115  0.09394873  1
  H  H8  1  0.46098224  0.82491480  0.58572735  1
  H  H9  1  0.17523584  0.53661767  0.90604657  1
  H  H10  1  0.33661080  0.16338065  0.51486972  1
  H  H11  1  0.83951945  0.66457878  0.99374406  1
  H  H12  1  0.66339085  0.83661630  0.48513170  1
  H  H13  1  0.16048916  0.33541701  0.00625306  1
  H  H14  1  0.42721214  0.07160603  0.06820732  1
  H  H15  1  0.92817192  0.57430363  0.44026570  1
  H  H16  1  0.57278965  0.92839024  0.93179447  1
  H  H17  1  0.07181863  0.42570203  0.55973498  1
  H  H18  1  0.89408944  0.21605116  0.05699303  1
  H  H19  1  0.78917153  0.11353133  0.45984692  1
  H  H20  1  0.10591100  0.78394934  0.94300669  1
  H  H21  1  0.21082343  0.88647557  0.54014797  1
  C  C22  1  0.62582271  0.11634043  0.17691377  1
  C  C23  1  0.88503491  0.37428535  0.32871046  1
  C  C24  1  0.37417775  0.88365650  0.82308680  1
  C  C25  1  0.11496331  0.62571602  0.67128875  1
  C  C26  1  0.49980716  0.11881392  0.23557712  1
  C  C27  1  0.88235094  0.50145225  0.27229086  1
  C  C28  1  0.50019441  0.88118213  0.76442434  1
  C  C29  1  0.11764779  0.49854904  0.72770750  1
  C  C30  1  0.47116230  0.14802509  0.36133396  1
  C  C31  1  0.85320787  0.53045001  0.14677262  1
  C  C32  1  0.52884022  0.85196984  0.63866766  1
  C  C33  1  0.14679531  0.46954865  0.85322503  1
  C  C34  1  0.35847865  0.14222414  0.41848788  1
  C  C35  1  0.86027061  0.64254264  0.08998697  1
  C  C36  1  0.64152256  0.85777307  0.58151323  1
  C  C37  1  0.13973483  0.35745585  0.91001168  1
  C  C38  1  0.27387199  0.10588999  0.34847561  1
  C  C39  1  0.89660530  0.72707850  0.16052759  1
  C  C40  1  0.72612777  0.89410995  0.65152487  1
  C  C41  1  0.10339830  0.27292113  0.83947193  1
  C  C42  1  0.30080913  0.07868533  0.22400513  1
  C  C43  1  0.92231223  0.70073782  0.28516491  1
  C  C44  1  0.69919040  0.92131389  0.77599579  1
  C  C45  1  0.07768606  0.29926414  0.71483517  1
  C  C46  1  0.41117636  0.08858596  0.16531448  1
  C  C47  1  0.91218792  0.59024990  0.34305253  1
  C  C48  1  0.58882473  0.91141064  0.83468626  1
  C  C49  1  0.08780732  0.40975251  0.65694720  1
  N  N50  1  0.16124895  0.08448694  0.37715870  1
  N  N51  1  0.91700458  0.83927712  0.13037251  1
  N  N52  1  0.83874836  0.91551790  0.62284232  1
  N  N53  1  0.08300145  0.16072078  0.86962650  1
  N  N54  1  0.11928522  0.04798018  0.27473049  1
  N  N55  1  0.95214790  0.88337493  0.23080699  1
  N  N56  1  0.88071222  0.95202292  0.72527122  1
  N  N57  1  0.04785382  0.11662468  0.76919280  1
  N  N58  1  0.20542775  0.03995635  0.18276830  1
  N  N59  1  0.95891594  0.79887206  0.32546181  1
  N  N60  1  0.79457045  0.96004476  0.81723255  1
  N  N61  1  0.04108236  0.20112967  0.67453849  1
  O  O62  1  0.93403053  0.11722859  0.07251343  1
  O  O63  1  0.88543437  0.06902075  0.43438254  1
  O  O64  1  0.06597016  0.88277181  0.92748590  1
  O  O65  1  0.11456124  0.93098386  0.56561667  1
  O  O66  1  0.70565582  0.14221593  0.24464869  1
  O  O67  1  0.85674040  0.29724796  0.25881423  1
  O  O68  1  0.29434401  0.85778317  0.75535101  1
  O  O69  1  0.14325756  0.70275401  0.74118523  1
  O  O70  1  0.64788074  0.08525597  0.06495035  1
  O  O71  1  0.91822620  0.34804785  0.43950723  1
  O  O72  1  0.35212036  0.91473949  0.93505055  1
  O  O73  1  0.08177042  0.65195359  0.56049271  1
