# generated using pymatgen
data_VCrFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87019587
_cell_length_b   10.86185524
_cell_length_c   10.91457375
_cell_angle_alpha   89.02735693
_cell_angle_beta   88.74768540
_cell_angle_gamma   63.72631409
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrFeH8C14(NO)6
_chemical_formula_sum   'V2 Cr2 Fe2 H16 C28 N12 O12'
_cell_volume   1155.24009651
_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  0.91494636  0.08988471  0.25983472  1
  V  V1  1  0.08505154  0.91011789  0.74016266  1
  Cr  Cr2  1  0.85416375  0.99245726  -0.00893064  1
  Fe  Fe3  1  0.01889609  0.14416093  0.50627630  1
  Cr  Cr4  1  0.14583610  0.00754207  1.00892997  1
  Fe  Fe5  1  0.98110015  0.85584277  0.49372310  1
  H  H6  1  0.54663697  0.16865292  0.40789820  1
  H  H7  1  0.82556721  0.46615670  0.08661707  1
  H  H8  1  0.45336634  0.83133836  0.59210399  1
  H  H9  1  0.17443730  0.53384289  0.91338051  1
  H  H10  1  0.34373405  0.15597461  0.50856767  1
  H  H11  1  0.83842822  0.66884132  0.98751126  1
  H  H12  1  0.65626578  0.84402275  0.49143371  1
  H  H13  1  0.16158004  0.33115673  0.01248618  1
  H  H14  1  0.42738317  0.08181980  0.05430324  1
  H  H15  1  0.92881225  0.57527350  0.43708263  1
  H  H16  1  0.57261957  0.91817488  0.94569820  1
  H  H17  1  0.07118016  0.42473207  0.56291778  1
  H  H18  1  0.89677619  0.20602626  0.04961284  1
  H  H19  1  0.78596486  0.12716594  0.46922178  1
  H  H20  1  0.10322275  0.79397557  0.95038355  1
  H  H21  1  0.21403380  0.87283736  0.53077651  1
  C  C22  1  0.63309476  0.11558308  0.17018786  1
  C  C23  1  0.88644972  0.37455240  0.32310463  1
  C  C24  1  0.36690469  0.88441482  0.82981554  1
  C  C25  1  0.11354716  0.62545100  0.67689423  1
  C  C26  1  0.50525699  0.11858986  0.22557722  1
  C  C27  1  0.88273590  0.50295555  0.26726389  1
  C  C28  1  0.49474427  0.88140410  0.77442570  1
  C  C29  1  0.11726272  0.49704717  0.73273516  1
  C  C30  1  0.47766880  0.14387345  0.35346402  1
  C  C31  1  0.85325867  0.53330671  0.14095370  1
  C  C32  1  0.52233243  0.85612049  0.64653884  1
  C  C33  1  0.14674423  0.46669378  0.85904452  1
  C  C34  1  0.36494273  0.13745065  0.41087958  1
  C  C35  1  0.85949443  0.64669254  0.08458135  1
  C  C36  1  0.63505697  0.86254638  0.58912196  1
  C  C37  1  0.14051043  0.35330725  0.91541664  1
  C  C38  1  0.27804702  0.10588300  0.33848806  1
  C  C39  1  0.89611935  0.73093165  0.15608686  1
  C  C40  1  0.72195121  0.89411674  0.66151247  1
  C  C41  1  0.10388361  0.26906849  0.84391221  1
  C  C42  1  0.30009391  0.08839140  0.21132723  1
  C  C43  1  0.92342323  0.70275860  0.28113084  1
  C  C44  1  0.69990691  0.91160512  0.78867359  1
  C  C45  1  0.07657605  0.29724386  0.71886902  1
  C  C46  1  0.41274813  0.09520015  0.15283453  1
  C  C47  1  0.91292053  0.59161594  0.33903534  1
  C  C48  1  0.58725372  0.90479443  0.84716710  1
  C  C49  1  0.08707582  0.40838773  0.66096430  1
  N  N50  1  0.16597729  0.08298180  0.36811698  1
  N  N51  1  0.91738943  0.84442545  0.12847183  1
  N  N52  1  0.83401917  0.91702148  0.63188164  1
  N  N53  1  0.08261308  0.15557539  0.87152771  1
  N  N54  1  0.11800895  0.05516236  0.26509684  1
  N  N55  1  0.95506584  0.88602925  0.23107659  1
  N  N56  1  0.88199154  0.94483425  0.73490238  1
  N  N57  1  0.04493613  0.11397179  0.76892292  1
  N  N58  1  0.19711871  0.06175913  0.16822321  1
  N  N59  1  0.96265665  0.79870779  0.32367769  1
  N  N60  1  0.80288408  0.93823558  0.83177715  1
  N  N61  1  0.03734119  0.20129557  0.67632266  1
  O  O62  1  0.94066668  0.10820888  0.07138070  1
  O  O63  1  0.88136727  0.07457602  0.44225643  1
  O  O64  1  0.05933324  0.89179326  0.92861659  1
  O  O65  1  0.11863103  0.92542663  0.55774111  1
  O  O66  1  0.71033064  0.14216507  0.24054215  1
  O  O67  1  0.85767607  0.29746156  0.25193272  1
  O  O68  1  0.28966735  0.85783660  0.75946077  1
  O  O69  1  0.14232275  0.70254103  0.74806538  1
  O  O70  1  0.66051761  0.08461173  0.05602140  1
  O  O71  1  0.92173093  0.34631861  0.43414782  1
  O  O72  1  0.33948416  0.91538461  0.94398257  1
  O  O73  1  0.07826365  0.65368529  0.56585143  1
