# generated using pymatgen
data_VCrFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86216931
_cell_length_b   10.86622770
_cell_length_c   10.97246424
_cell_angle_alpha   88.73320303
_cell_angle_beta   88.67272934
_cell_angle_gamma   63.71927284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrFeH8C14(NO)6
_chemical_formula_sum   'V2 Cr2 Fe2 H16 C28 N12 O12'
_cell_volume   1160.80943843
_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  0.90987100  0.08214994  0.24039383  1
  V  V1  1  0.09013048  0.91785028  0.75960364  1
  Fe  Fe2  1  0.85669712  0.97900655  -0.00647623  1
  Cr  Cr3  1  0.00479769  0.14678981  0.51182359  1
  Fe  Fe4  1  0.14330002  0.02098756  1.00647661  1
  Cr  Cr5  1  0.99519707  0.85321395  0.48817773  1
  H  H6  1  0.53174895  0.17526718  0.41194801  1
  H  H7  1  0.82982058  0.44874446  0.09418453  1
  H  H8  1  0.46825304  0.82472730  0.58805542  1
  H  H9  1  0.17018477  0.55125565  0.90581145  1
  H  H10  1  0.32841641  0.16147366  0.51019836  1
  H  H11  1  0.84242568  0.65056121  0.99144118  1
  H  H12  1  0.67158384  0.83852370  0.48980440  1
  H  H13  1  0.15758361  0.34943675  0.00855517  1
  H  H14  1  0.42692233  0.06955423  0.06290732  1
  H  H15  1  0.91821048  0.57158243  0.44309937  1
  H  H16  1  0.57307820  0.93044318  0.93709547  1
  H  H17  1  0.08178095  0.42842279  0.55689949  1
  H  H18  1  0.87078664  0.21250723  0.03333173  1
  H  H19  1  0.79354876  0.09584608  0.44660241  1
  H  H20  1  0.12921109  0.78749125  0.96666579  1
  H  H21  1  0.20644778  0.90415817  0.55338798  1
  C  C22  1  0.62624943  0.11127381  0.17696804  1
  C  C23  1  0.88281962  0.36497319  0.33056889  1
  C  C24  1  0.37375133  0.88872289  0.82303502  1
  C  C25  1  0.11717859  0.63502881  0.66942871  1
  C  C26  1  0.49743800  0.11565419  0.23242079  1
  C  C27  1  0.88012166  0.49221515  0.27410149  1
  C  C28  1  0.50256272  0.88434262  0.76758232  1
  C  C29  1  0.11987693  0.50778719  0.72589623  1
  C  C30  1  0.46575505  0.14629151  0.35798715  1
  C  C31  1  0.85465517  0.51848888  0.14701683  1
  C  C32  1  0.53424572  0.85370486  0.64201605  1
  C  C33  1  0.14534778  0.48151221  0.85298017  1
  C  C34  1  0.35215771  0.13967514  0.41377269  1
  C  C35  1  0.86128403  0.63047519  0.08856106  1
  C  C36  1  0.64784226  0.86032237  0.58622999  1
  C  C37  1  0.13872134  0.36952526  0.91143597  1
  C  C38  1  0.26947246  0.10192977  0.34213124  1
  C  C39  1  0.89399839  0.71766748  0.15891377  1
  C  C40  1  0.73052643  0.89806968  0.65787096  1
  C  C41  1  0.10600248  0.28233526  0.84108486  1
  C  C42  1  0.29835292  0.07437514  0.21759499  1
  C  C43  1  0.91209284  0.69660671  0.28544158  1
  C  C44  1  0.70164568  0.92562523  0.78240706  1
  C  C45  1  0.08790195  0.30339783  0.71455772  1
  C  C46  1  0.40972252  0.08514460  0.16052022  1
  C  C47  1  0.90443150  0.58498717  0.34513438  1
  C  C48  1  0.59027749  0.91485360  0.83948239  1
  C  C49  1  0.09556335  0.41501695  0.65486409  1
  N  N50  1  0.15697868  0.07962317  0.37014148  1
  N  N51  1  0.91708630  0.82945974  0.12825859  1
  N  N52  1  0.84301990  0.92037647  0.62986039  1
  N  N53  1  0.08293412  0.17053245  0.87174053  1
  N  N54  1  0.11476004  0.04314245  0.26877948  1
  N  N55  1  0.94564046  0.87763767  0.23069473  1
  N  N56  1  0.88523736  0.95686017  0.73122164  1
  N  N57  1  0.05436295  0.12236268  0.76930746  1
  N  N58  1  0.20229791  0.03515168  0.17568862  1
  N  N59  1  0.93979090  0.79924581  0.32703304  1
  N  N60  1  0.79769969  0.96485111  0.82431250  1
  N  N61  1  0.06020661  0.20075651  0.67296819  1
  O  O62  1  0.92485983  0.11714851  0.05955426  1
  O  O63  1  0.89133957  0.05584859  0.42514018  1
  O  O64  1  0.07513714  0.88284942  0.94044219  1
  O  O65  1  0.10865923  0.94415377  0.57485841  1
  O  O66  1  0.70260548  0.14055398  0.24758465  1
  O  O67  1  0.85741121  0.28668128  0.26084718  1
  O  O68  1  0.29739475  0.85944491  0.75241739  1
  O  O69  1  0.14258885  0.71331998  0.73914977  1
  O  O70  1  0.65532615  0.07507910  0.06650436  1
  O  O71  1  0.91247351  0.33968875  0.44392107  1
  O  O72  1  0.34467534  0.92491501  0.93349931  1
  O  O73  1  0.08752261  0.66031362  0.55607698  1
