# generated using pymatgen
data_V2FeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87197317
_cell_length_b   10.86655094
_cell_length_c   10.85064115
_cell_angle_alpha   89.27402414
_cell_angle_beta   89.06931079
_cell_angle_gamma   63.75915991
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2FeH8C14(NO)6
_chemical_formula_sum   'V4 Fe2 H16 C28 N12 O12'
_cell_volume   1149.62214080
_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  0.90790751  0.09255216  0.25002864  1
  Fe  Fe1  1  0.09209068  0.90745142  0.74996966  1
  V  V2  1  0.85343626  0.98715036  0.00184020  1
  V  V3  1  0.01259304  0.14682308  0.49804170  1
  V  V4  1  0.14656610  0.01284647  0.99815840  1
  V  V5  1  0.98740410  0.85318152  0.50195947  1
  H  H6  1  0.53658371  0.16832626  0.41408703  1
  H  H7  1  0.83043669  0.46399982  0.08702264  1
  H  H8  1  0.46341847  0.83166330  0.58591747  1
  H  H9  1  0.16956871  0.53600230  0.91297428  1
  H  H10  1  0.33311608  0.15511488  0.51216358  1
  H  H11  1  0.84282213  0.66757333  0.98874966  1
  H  H12  1  0.66687903  0.84488382  0.48783685  1
  H  H13  1  0.15718492  0.33242842  0.01124942  1
  H  H14  1  0.42555240  0.07360548  0.05673962  1
  H  H15  1  0.93000983  0.57436260  0.44275689  1
  H  H16  1  0.57445058  0.92639172  0.94326173  1
  H  H17  1  0.06998237  0.42564307  0.55724386  1
  H  H18  1  0.87556481  0.21514887  0.03992291  1
  H  H19  1  0.78509233  0.12414229  0.46037432  1
  H  H20  1  0.12443643  0.78485169  0.96007507  1
  H  H21  1  0.21490593  0.87586197  0.53962216  1
  C  C22  1  0.62423014  0.11735464  0.17625676  1
  C  C23  1  0.88329967  0.37615283  0.32422216  1
  C  C24  1  0.37577330  0.88263432  0.82374632  1
  C  C25  1  0.11669648  0.62385176  0.67577515  1
  C  C26  1  0.49725221  0.11754371  0.23007022  1
  C  C27  1  0.88339128  0.50288425  0.27026085  1
  C  C28  1  0.50275097  0.88244806  0.76993325  1
  C  C29  1  0.11660763  0.49711956  0.72973780  1
  C  C30  1  0.46827592  0.14346798  0.35797752  1
  C  C31  1  0.85614377  0.53212499  0.14273100  1
  C  C32  1  0.53172468  0.85652423  0.64202643  1
  C  C33  1  0.14385955  0.46787781  0.85726689  1
  C  C34  1  0.35470813  0.13763337  0.41382709  1
  C  C35  1  0.86150873  0.64577161  0.08679638  1
  C  C36  1  0.64528917  0.86236313  0.58617420  1
  C  C37  1  0.13849670  0.35423065  0.91320283  1
  C  C38  1  0.26831289  0.10708966  0.33855979  1
  C  C39  1  0.89308010  0.73197984  0.16160022  1
  C  C40  1  0.73168443  0.89290865  0.66143945  1
  C  C41  1  0.10692451  0.26802196  0.83839986  1
  C  C42  1  0.29461499  0.08407214  0.21183980  1
  C  C43  1  0.91767768  0.70525656  0.28790036  1
  C  C44  1  0.70538534  0.91592501  0.78815993  1
  C  C45  1  0.08232043  0.29474759  0.71210091  1
  C  C46  1  0.40815720  0.09002074  0.15533528  1
  C  C47  1  0.91221864  0.59165982  0.34445857  1
  C  C48  1  0.59184564  0.90997388  0.84466647  1
  C  C49  1  0.08777766  0.40834518  0.65554187  1
  N  N50  1  0.15025392  0.09301148  0.36348446  1
  N  N51  1  0.90662403  0.85025881  0.13659025  1
  N  N52  1  0.84973924  0.90699246  0.63651246  1
  N  N53  1  0.09338554  0.14973971  0.86340927  1
  N  N54  1  0.11189592  0.05073159  0.26012004  1
  N  N55  1  0.95034309  0.88821562  0.23922893  1
  N  N56  1  0.88809835  0.94927365  0.73987659  1
  N  N57  1  0.04966288  0.11178387  0.76077266  1
  N  N58  1  0.19167684  0.05543585  0.16560244  1
  N  N59  1  0.94664773  0.80819842  0.33380228  1
  N  N60  1  0.80832207  0.94456538  0.83439578  1
  N  N61  1  0.05335027  0.19180508  0.66620029  1
  O  O62  1  0.92948183  0.11603383  0.04885669  1
  O  O63  1  0.88423110  0.07032746  0.45121188  1
  O  O64  1  0.07051812  0.88396625  0.95114058  1
  O  O65  1  0.11576744  0.92967690  0.54878690  1
  O  O66  1  0.69798200  0.14718934  0.24769875  1
  O  O67  1  0.85254800  0.30273872  0.25301072  1
  O  O68  1  0.30201770  0.85280644  0.75230302  1
  O  O69  1  0.14744679  0.69726655  0.74698597  1
  O  O70  1  0.65316729  0.08464496  0.06132060  1
  O  O71  1  0.91646141  0.34712246  0.43880852  1
  O  O72  1  0.34683646  0.91533907  0.93868336  1
  O  O73  1  0.08353257  0.65288017  0.56118911  1
