# generated using pymatgen
data_V2FeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86995830
_cell_length_b   10.86552526
_cell_length_c   10.85927608
_cell_angle_alpha   89.25020483
_cell_angle_beta   89.03835576
_cell_angle_gamma   63.77103436
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2FeH8C14(NO)6
_chemical_formula_sum   'V4 Fe2 H16 C28 N12 O12'
_cell_volume   1150.32099405
_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  0.90708383  0.09235878  0.24673325  1
  V  V1  1  0.09291351  0.90764399  0.75326453  1
  Fe  Fe2  1  0.85436586  0.98840151  -0.00620074  1
  V  V3  1  0.01277045  0.14641478  0.50109045  1
  Fe  Fe4  1  0.14563630  0.01159643  1.00620010  1
  V  V5  1  0.98722605  0.85359015  0.49890954  1
  H  H6  1  0.53728877  0.16910612  0.41555932  1
  H  H7  1  0.83037709  0.46461518  0.08608460  1
  H  H8  1  0.46271335  0.83088369  0.58444518  1
  H  H9  1  0.16962807  0.53538635  0.91391205  1
  H  H10  1  0.33410763  0.15606518  0.51453657  1
  H  H11  1  0.84308267  0.66841506  0.99021118  1
  H  H12  1  0.66588821  0.84393362  0.48546405  1
  H  H13  1  0.15692430  0.33158643  0.00978720  1
  H  H14  1  0.42396433  0.07424720  0.06006511  1
  H  H15  1  0.92908946  0.57330998  0.44297760  1
  H  H16  1  0.57603807  0.92574998  0.93993652  1
  H  H17  1  0.07090286  0.42669582  0.55702296  1
  H  H18  1  0.87556672  0.21734223  0.04151036  1
  H  H19  1  0.78580150  0.12413487  0.46024922  1
  H  H20  1  0.12443447  0.78265876  0.95848848  1
  H  H21  1  0.21419658  0.87586896  0.53974867  1
  C  C22  1  0.62373182  0.11784589  0.17572659  1
  C  C23  1  0.88300720  0.37585346  0.32524023  1
  C  C24  1  0.37626975  0.88214480  0.82427665  1
  C  C25  1  0.11698916  0.62414992  0.67475786  1
  C  C26  1  0.49695271  0.11831206  0.23179515  1
  C  C27  1  0.88339226  0.50173901  0.27025292  1
  C  C28  1  0.50304932  0.88167994  0.76820847  1
  C  C29  1  0.11660611  0.49826417  0.72974596  1
  C  C30  1  0.46899755  0.14408638  0.35975281  1
  C  C31  1  0.85624454  0.53196284  0.14270899  1
  C  C32  1  0.53100389  0.85590574  0.64025098  1
  C  C33  1  0.14375854  0.46803914  0.85728920  1
  C  C34  1  0.35563790  0.13828343  0.41635011  1
  C  C35  1  0.86228153  0.64566143  0.08796289  1
  C  C36  1  0.64436033  0.86171306  0.58365137  1
  C  C37  1  0.13772399  0.35433962  0.91203559  1
  C  C38  1  0.26892982  0.10714846  0.34288961  1
  C  C39  1  0.89496731  0.73132757  0.16265205  1
  C  C40  1  0.73106847  0.89285054  0.65711022  1
  C  C41  1  0.10503792  0.26867268  0.83734751  1
  C  C42  1  0.29395392  0.08327441  0.21619488  1
  C  C43  1  0.91753359  0.70470715  0.28923397  1
  C  C44  1  0.70604601  0.91672283  0.78380503  1
  C  C45  1  0.08246400  0.29529681  0.71076654  1
  C  C46  1  0.40719032  0.09051077  0.15871936  1
  C  C47  1  0.91180656  0.59068163  0.34467978  1
  C  C48  1  0.59281162  0.90948423  0.84128224  1
  C  C49  1  0.08818924  0.40932282  0.65532029  1
  N  N50  1  0.15217318  0.09233901  0.37066862  1
  N  N51  1  0.91356913  0.84560044  0.13537542  1
  N  N52  1  0.84782197  0.90766559  0.62932972  1
  N  N53  1  0.08644353  0.15439592  0.86462316  1
  N  N54  1  0.10736344  0.05675200  0.26531694  1
  N  N55  1  0.94645392  0.89096695  0.23865070  1
  N  N56  1  0.89263162  0.94325341  0.73468104  1
  N  N57  1  0.05354970  0.10903400  0.76134915  1
  N  N58  1  0.19319545  0.05296460  0.17176217  1
  N  N59  1  0.94550380  0.80729146  0.33542377  1
  N  N60  1  0.80680183  0.94703779  0.82823655  1
  N  N61  1  0.05449352  0.19271303  0.66457682  1
  O  O62  1  0.92742280  0.11981318  0.06117344  1
  O  O63  1  0.88368879  0.07199829  0.44064085  1
  O  O64  1  0.07257769  0.88018724  0.93882394  1
  O  O65  1  0.11630904  0.92800619  0.55935827  1
  O  O66  1  0.70005730  0.14674529  0.24851730  1
  O  O67  1  0.85246333  0.30013046  0.25467205  1
  O  O68  1  0.29994149  0.85325230  0.75148374  1
  O  O69  1  0.14753378  0.69987306  0.74532448  1
  O  O70  1  0.65103881  0.08621905  0.06294252  1
  O  O71  1  0.91463164  0.34828213  0.43938249  1
  O  O72  1  0.34896647  0.91376407  0.93706203  1
  O  O73  1  0.08536288  0.65172148  0.56061580  1
