# generated using pymatgen
data_MnVFeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.90677796
_cell_length_b   10.90494051
_cell_length_c   10.90222772
_cell_angle_alpha   89.22533446
_cell_angle_beta   89.01848303
_cell_angle_gamma   63.61385931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVFeH8C14(NO)6
_chemical_formula_sum   'Mn2 V2 Fe2 H16 C28 N12 O12'
_cell_volume   1161.40116626
_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  0.90382231  0.09372309  0.25173877  1
  Fe  Fe1  1  0.09617784  0.90627952  0.74825975  1
  V  V2  1  0.85442660  0.98865195  0.00148178  1
  Mn  Mn3  1  0.00260308  0.14866323  0.50495942  1
  V  V4  1  0.14557476  0.01134720  0.99851793  1
  Mn  Mn5  1  0.99739287  0.85134191  0.49504102  1
  H  H6  1  0.53636060  0.16900476  0.40802559  1
  H  H7  1  0.82629182  0.46006286  0.08483221  1
  H  H8  1  0.46364315  0.83098492  0.59197762  1
  H  H9  1  0.17371231  0.53993754  0.91516507  1
  H  H10  1  0.33278295  0.15483463  0.50447750  1
  H  H11  1  0.83661127  0.66241716  0.98252566  1
  H  H12  1  0.66721622  0.84516261  0.49552377  1
  H  H13  1  0.16339746  0.33758119  0.01747197  1
  H  H14  1  0.42528840  0.08083808  0.05069679  1
  H  H15  1  0.92836679  0.57435417  0.43461386  1
  H  H16  1  0.57471427  0.91915580  0.94930529  1
  H  H17  1  0.07162380  0.42565190  0.56538691  1
  H  H18  1  0.87627842  0.21378243  0.03346050  1
  H  H19  1  0.77930601  0.11179776  0.45972774  1
  H  H20  1  0.12372078  0.78621802  0.96653490  1
  H  H21  1  0.22069133  0.88820730  0.54026920  1
  C  C22  1  0.62292575  0.12113335  0.17092512  1
  C  C23  1  0.88358720  0.37535534  0.32219392  1
  C  C24  1  0.37707670  0.87886007  0.82907737  1
  C  C25  1  0.11640790  0.62464881  0.67780470  1
  C  C26  1  0.49658514  0.12082678  0.22437174  1
  C  C27  1  0.87981330  0.50245197  0.26521722  1
  C  C28  1  0.50341728  0.87916664  0.77563059  1
  C  C29  1  0.12018465  0.49755105  0.73478164  1
  C  C30  1  0.46795255  0.14508661  0.35194357  1
  C  C31  1  0.85095617  0.52973108  0.13838907  1
  C  C32  1  0.53204958  0.85490640  0.64805879  1
  C  C33  1  0.14904652  0.47026991  0.86160889  1
  C  C34  1  0.35537694  0.13773739  0.40683249  1
  C  C35  1  0.85481492  0.64264206  0.08037390  1
  C  C36  1  0.64462287  0.86225929  0.59316887  1
  C  C37  1  0.14519066  0.35735735  0.91962430  1
  C  C38  1  0.27106682  0.10531386  0.33146341  1
  C  C39  1  0.88696902  0.72912369  0.15251424  1
  C  C40  1  0.72893130  0.89468603  0.66853736  1
  C  C41  1  0.11303593  0.27087538  0.84748474  1
  C  C42  1  0.29715722  0.08414618  0.20490005  1
  C  C43  1  0.91750234  0.70180484  0.27752400  1
  C  C44  1  0.70284249  0.91585160  0.79510103  1
  C  C45  1  0.08249737  0.29819704  0.72247610  1
  C  C46  1  0.40824997  0.09393798  0.14908029  1
  C  C47  1  0.90961590  0.59100225  0.33685172  1
  C  C48  1  0.59175159  0.90605699  0.85092152  1
  C  C49  1  0.09037979  0.40900148  0.66314829  1
  N  N50  1  0.15945602  0.08294497  0.35935374  1
  N  N51  1  0.90448574  0.84428487  0.12542066  1
  N  N52  1  0.84053853  0.91706049  0.64064580  1
  N  N53  1  0.09552094  0.15571293  0.87457804  1
  N  N54  1  0.12105023  0.04243075  0.25937817  1
  N  N55  1  0.95433240  0.87904162  0.22705949  1
  N  N56  1  0.87894390  0.95757570  0.74062096  1
  N  N57  1  0.04567316  0.12095672  0.77293999  1
  N  N58  1  0.19751039  0.04919487  0.16190474  1
  N  N59  1  0.95882773  0.79589456  0.31845909  1
  N  N60  1  0.80248742  0.95080658  0.83809528  1
  N  N61  1  0.04117203  0.20410720  0.68154124  1
  O  O62  1  0.92882596  0.11638232  0.05230851  1
  O  O63  1  0.87646441  0.06661152  0.43932668  1
  O  O64  1  0.07117432  0.88361860  0.94768859  1
  O  O65  1  0.12353355  0.93339251  0.56067288  1
  O  O66  1  0.69627768  0.15113881  0.24156186  1
  O  O67  1  0.85574115  0.29903284  0.25203575  1
  O  O68  1  0.30372479  0.84885494  0.75844033  1
  O  O69  1  0.14425391  0.70097188  0.74796274  1
  O  O70  1  0.65230732  0.08787312  0.05691923  1
  O  O71  1  0.91829111  0.35013553  0.43468951  1
  O  O72  1  0.34769459  0.91212076  0.94308308  1
  O  O73  1  0.08170232  0.64986924  0.56530985  1
