# generated using pymatgen
data_VCrFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87874456
_cell_length_b   10.87805228
_cell_length_c   10.86030447
_cell_angle_alpha   89.23713060
_cell_angle_beta   88.99724382
_cell_angle_gamma   63.70098564
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrFeH8C14(NO)6
_chemical_formula_sum   'V2 Cr2 Fe2 H16 C28 N12 O12'
_cell_volume   1151.97873663
_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
  Fe  Fe0  1  0.90895109  0.09418066  0.25371579  1
  Fe  Fe1  1  0.09104734  0.90582186  0.74628251  1
  Cr  Cr2  1  0.85806302  0.98626077  -0.00128377  1
  V  V3  1  0.01293597  0.14540241  0.49749042  1
  Cr  Cr4  1  0.14193885  0.01373687  1.00128081  1
  V  V5  1  0.98706114  0.85460344  0.50251051  1
  H  H6  1  0.54016245  0.16947574  0.41252810  1
  H  H7  1  0.83003249  0.46468848  0.08744364  1
  H  H8  1  0.45983994  0.83051372  0.58747635  1
  H  H9  1  0.16997258  0.53531310  0.91255310  1
  H  H10  1  0.33730810  0.15663618  0.51174718  1
  H  H11  1  0.84274917  0.66852461  0.99081891  1
  H  H12  1  0.66268816  0.84336169  0.48825324  1
  H  H13  1  0.15725865  0.33147714  0.00917942  1
  H  H14  1  0.42626982  0.07495949  0.05635851  1
  H  H15  1  0.92798168  0.57302245  0.44388174  1
  H  H16  1  0.57373179  0.92503606  0.94364272  1
  H  H17  1  0.07201068  0.42698272  0.55611916  1
  H  H18  1  0.88986601  0.21002724  0.03453314  1
  H  H19  1  0.78126187  0.12632549  0.46638620  1
  H  H20  1  0.11013612  0.78996983  0.96546251  1
  H  H21  1  0.21873690  0.87367897  0.53361179  1
  C  C22  1  0.62923449  0.11575792  0.17564649  1
  C  C23  1  0.88204732  0.37687162  0.32596821  1
  C  C24  1  0.37076793  0.88423372  0.82435743  1
  C  C25  1  0.11794852  0.62313251  0.67402981  1
  C  C26  1  0.50105576  0.11708325  0.22886836  1
  C  C27  1  0.88290870  0.50259915  0.27096026  1
  C  C28  1  0.49894580  0.88290975  0.77113455  1
  C  C29  1  0.11708904  0.49740407  0.72903858  1
  C  C30  1  0.47232540  0.14373712  0.35690217  1
  C  C31  1  0.85613313  0.53222854  0.14345463  1
  C  C32  1  0.52767613  0.85625461  0.64310090  1
  C  C33  1  0.14386932  0.46777373  0.85654351  1
  C  C34  1  0.35876540  0.13883697  0.41360526  1
  C  C35  1  0.86148435  0.64648760  0.08871583  1
  C  C36  1  0.64123321  0.86115867  0.58639586  1
  C  C37  1  0.13852096  0.35351354  0.91128285  1
  C  C38  1  0.27110321  0.10985709  0.33947589  1
  C  C39  1  0.89246115  0.73250044  0.16415305  1
  C  C40  1  0.72889456  0.89014163  0.66052385  1
  C  C41  1  0.10754382  0.26749949  0.83584726  1
  C  C42  1  0.29641798  0.08728161  0.21263203  1
  C  C43  1  0.91634561  0.70474936  0.29026693  1
  C  C44  1  0.70358125  0.91271702  0.78736769  1
  C  C45  1  0.08365331  0.29525308  0.70973430  1
  C  C46  1  0.41053132  0.09114256  0.15496250  1
  C  C47  1  0.91120276  0.59092911  0.34566284  1
  C  C48  1  0.58947013  0.90885211  0.84503895  1
  C  C49  1  0.08879251  0.40907472  0.65433762  1
  N  N50  1  0.15464178  0.09321137  0.36509805  1
  N  N51  1  0.91210477  0.84756183  0.13986246  1
  N  N52  1  0.84535290  0.90679231  0.63489928  1
  N  N53  1  0.08790278  0.15243640  0.86013750  1
  N  N54  1  0.12048580  0.04544177  0.26245244  1
  N  N55  1  0.95974617  0.88101587  0.24046174  1
  N  N56  1  0.87950957  0.95456384  0.73754523  1
  N  N57  1  0.04025891  0.11898306  0.75953934  1
  N  N58  1  0.19465924  0.05826412  0.16775335  1
  N  N59  1  0.94924864  0.80489306  0.33623871  1
  N  N60  1  0.80533783  0.94174018  0.83224397  1
  N  N61  1  0.05075050  0.19510954  0.66376296  1
  O  O62  1  0.93951194  0.11354392  0.05737023  1
  O  O63  1  0.88015726  0.07261878  0.45357126  1
  O  O64  1  0.06048987  0.88645423  0.94262878  1
  O  O65  1  0.11984160  0.92738553  0.54642730  1
  O  O66  1  0.70046746  0.14840296  0.24727808  1
  O  O67  1  0.85061538  0.30299738  0.25626612  1
  O  O68  1  0.29953333  0.85159312  0.75272396  1
  O  O69  1  0.14937957  0.69700785  0.74373108  1
  O  O70  1  0.66253141  0.07908274  0.06224897  1
  O  O71  1  0.91603613  0.34787708  0.44014639  1
  O  O72  1  0.33747154  0.92090773  0.93775560  1
  O  O73  1  0.08395926  0.65212821  0.55985202  1
