# generated using pymatgen
data_VCr2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.85131963
_cell_length_b   10.85378849
_cell_length_c   10.89696957
_cell_angle_alpha   89.03220630
_cell_angle_beta   88.72173926
_cell_angle_gamma   63.77303893
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2H8C14(NO)6
_chemical_formula_sum   'V2 Cr4 H16 C28 N12 O12'
_cell_volume   1150.97292750
_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
  Cr  Cr0  1  0.91412714  0.09049187  0.25461308  1
  Cr  Cr1  1  0.08587267  0.90950961  0.74538602  1
  Cr  Cr2  1  0.85356267  0.99184386  -0.01263733  1
  V  V3  1  0.01558837  0.14610612  0.50284897  1
  Cr  Cr4  1  0.14643887  0.00815335  1.01263732  1
  V  V5  1  0.98440758  0.85389693  0.49715135  1
  H  H6  1  0.54799805  0.17167243  0.41122168  1
  H  H7  1  0.82890767  0.46471078  0.09038072  1
  H  H8  1  0.45200599  0.82831846  0.58878174  1
  H  H9  1  0.17109598  0.53528919  0.90961725  1
  H  H10  1  0.34656330  0.16032521  0.51648668  1
  H  H11  1  0.84441489  0.66772448  0.99252528  1
  H  H12  1  0.65343639  0.83967170  0.48351458  1
  H  H13  1  0.15559374  0.33227379  0.00747238  1
  H  H14  1  0.42619032  0.07563993  0.06211616  1
  H  H15  1  0.92275569  0.57630901  0.44529187  1
  H  H16  1  0.57381262  0.92435433  0.93788562  1
  H  H17  1  0.07723559  0.42369725  0.55470894  1
  H  H18  1  0.90266857  0.20703645  0.05577137  1
  H  H19  1  0.78911786  0.12492238  0.46528257  1
  H  H20  1  0.09733252  0.79296299  0.94422619  1
  H  H21  1  0.21087864  0.87508225  0.53471496  1
  C  C22  1  0.63377529  0.11253965  0.17338374  1
  C  C23  1  0.88312279  0.37538809  0.32684223  1
  C  C24  1  0.36622616  0.88745622  0.82661721  1
  C  C25  1  0.11687489  0.62461415  0.67315640  1
  C  C26  1  0.50529313  0.11773380  0.23070904  1
  C  C27  1  0.88145957  0.50291001  0.27275151  1
  C  C28  1  0.49470863  0.88226103  0.76929274  1
  C  C29  1  0.11853980  0.49709216  0.72724766  1
  C  C30  1  0.47837893  0.14605824  0.35847453  1
  C  C31  1  0.85515684  0.53243530  0.14558634  1
  C  C32  1  0.52162334  0.85393569  0.64152723  1
  C  C33  1  0.14484609  0.46756486  0.85441190  1
  C  C34  1  0.36561124  0.14160378  0.41840526  1
  C  C35  1  0.86352898  0.64493608  0.08985393  1
  C  C36  1  0.63438864  0.85839318  0.58159603  1
  C  C37  1  0.13647682  0.35506231  0.91014480  1
  C  C38  1  0.27678553  0.11017497  0.34832702  1
  C  C39  1  0.89897247  0.72916377  0.16321924  1
  C  C40  1  0.72321241  0.88982569  0.65167336  1
  C  C41  1  0.10103171  0.27083519  0.83678024  1
  C  C42  1  0.29905336  0.08724308  0.22143193  1
  C  C43  1  0.91793002  0.70501742  0.29005994  1
  C  C44  1  0.70094642  0.91275578  0.77856887  1
  C  C45  1  0.08206955  0.29498454  0.70994102  1
  C  C46  1  0.41214349  0.09226486  0.16048760  1
  C  C47  1  0.90838509  0.59301460  0.34692708  1
  C  C48  1  0.58785793  0.90773101  0.83951350  1
  C  C49  1  0.09161119  0.40698912  0.65307291  1
  N  N50  1  0.16005388  0.09470077  0.37823615  1
  N  N51  1  0.92254980  0.84085334  0.13413820  1
  N  N52  1  0.83994196  0.90530358  0.62176335  1
  N  N53  1  0.07745550  0.15914470  0.86586157  1
  N  N54  1  0.11463567  0.05790475  0.27489462  1
  N  N55  1  0.95451049  0.88736631  0.23541467  1
  N  N56  1  0.88536182  0.94209849  0.72510407  1
  N  N57  1  0.04548949  0.11263582  0.76458445  1
  N  N58  1  0.19542818  0.06105675  0.17936323  1
  N  N59  1  0.94753877  0.80826894  0.33351958  1
  N  N60  1  0.80457042  0.93894527  0.82063594  1
  N  N61  1  0.05245890  0.19173446  0.66648124  1
  O  O62  1  0.94239620  0.10917088  0.07564561  1
  O  O63  1  0.88564736  0.07241267  0.44053216  1
  O  O64  1  0.05760363  0.89082924  0.92435398  1
  O  O65  1  0.11434961  0.92759083  0.55946684  1
  O  O66  1  0.71082069  0.14160052  0.24282279  1
  O  O67  1  0.85628840  0.29757744  0.25572999  1
  O  O68  1  0.28917949  0.85839756  0.75717682  1
  O  O69  1  0.14370865  0.70242484  0.74426884  1
  O  O70  1  0.66106845  0.07866726  0.06022283  1
  O  O71  1  0.91348603  0.34800072  0.44047856  1
  O  O72  1  0.33893212  0.92132830  0.93977807  1
  O  O73  1  0.08650956  0.65200240  0.55952026  1
