# generated using pymatgen
data_Mn2FeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.99076589
_cell_length_b   10.98475561
_cell_length_c   10.98274688
_cell_angle_alpha   89.03071546
_cell_angle_beta   88.83049464
_cell_angle_gamma   63.25544076
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeH8C14(NO)6
_chemical_formula_sum   'Mn4 Fe2 H16 C28 N12 O12'
_cell_volume   1183.81699876
_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  0.90011276  0.10024330  0.25016354  1
  Fe  Fe1  1  0.09988854  0.89975881  0.74983488  1
  Mn  Mn2  1  0.84857351  1.00414437  -0.00992802  1
  Mn  Mn3  1  -0.00432962  0.15157673  0.51008182  1
  Mn  Mn4  1  0.15142786  -0.00414649  1.00992666  1
  Mn  Mn5  1  1.00432530  0.84842895  0.48991866  1
  H  H6  1  0.53911600  0.17754884  0.40816509  1
  H  H7  1  0.82113294  0.46128223  0.09327773  1
  H  H8  1  0.46088626  0.82244160  0.59184014  1
  H  H9  1  0.17887077  0.53871756  0.90671875  1
  H  H10  1  0.34145563  0.16275998  0.51324458  1
  H  H11  1  0.83519527  0.65886582  0.98792084  1
  H  H12  1  0.65854239  0.83723654  0.48675752  1
  H  H13  1  0.16481482  0.34113112  0.01207582  1
  H  H14  1  0.42308923  0.07633771  0.06272071  1
  H  H15  1  0.92755457  0.57642137  0.43688432  1
  H  H16  1  0.57691461  0.92365668  0.93728187  1
  H  H17  1  0.07243562  0.42358448  0.56311575  1
  H  H18  1  0.90072766  0.21478546  0.04746794  1
  H  H19  1  0.78556518  0.09903102  0.45309764  1
  H  H20  1  0.09927480  0.78521326  0.95252759  1
  H  H21  1  0.21443258  0.90097477  0.54689380  1
  C  C22  1  0.62143754  0.12091876  0.17057243  1
  C  C23  1  0.88025296  0.37863258  0.33022110  1
  C  C24  1  0.37856521  0.87907547  0.82943257  1
  C  C25  1  0.11974264  0.62137114  0.66977742  1
  C  C26  1  0.49663283  0.12315588  0.22989449  1
  C  C27  1  0.87786046  0.50328657  0.27071091  1
  C  C28  1  0.50336977  0.87683761  0.77010966  1
  C  C29  1  0.12213680  0.49671627  0.72928733  1
  C  C30  1  0.47076838  0.15115044  0.35640725  1
  C  C31  1  0.84833975  0.52942787  0.14464473  1
  C  C32  1  0.52923275  0.84884261  0.64359668  1
  C  C33  1  0.15166265  0.47057298  0.85535276  1
  C  C34  1  0.36107416  0.14397140  0.41608326  1
  C  C35  1  0.85511896  0.63913375  0.08479715  1
  C  C36  1  0.63892460  0.85602521  0.58391880  1
  C  C37  1  0.14488722  0.36086519  0.91520081  1
  C  C38  1  0.27663261  0.10891133  0.34650941  1
  C  C39  1  0.89140340  0.72328800  0.15371361  1
  C  C40  1  0.72336389  0.89108982  0.65349085  1
  C  C41  1  0.10860113  0.27671065  0.84628515  1
  C  C42  1  0.30112036  0.08296701  0.22100979  1
  C  C43  1  0.91946999  0.69809754  0.27865284  1
  C  C44  1  0.69887801  0.91703392  0.77899095  1
  C  C45  1  0.08052902  0.30190438  0.72134727  1
  C  C46  1  0.40841012  0.09346878  0.16020698  1
  C  C47  1  0.90908546  0.59105968  0.33970460  1
  C  C48  1  0.59159186  0.90652722  0.83979474  1
  C  C49  1  0.09090925  0.40894414  0.66029487  1
  N  N50  1  0.16951023  0.08172989  0.37810626  1
  N  N51  1  0.91802435  0.83073944  0.12190780  1
  N  N52  1  0.83048260  0.91827608  0.62189163  1
  N  N53  1  0.08198372  0.16925786  0.87809135  1
  N  N54  1  0.13237612  0.03878100  0.27893504  1
  N  N55  1  0.96282802  0.86716113  0.22034682  1
  N  N56  1  0.86761773  0.96122590  0.72106236  1
  N  N57  1  0.03717675  0.13283690  0.77965354  1
  N  N58  1  0.20935588  0.03877360  0.18332186  1
  N  N59  1  0.96497012  0.78922045  0.31563227  1
  N  N60  1  0.79063993  0.96123149  0.81667620  1
  N  N61  1  0.03502897  0.21078078  0.68436867  1
  O  O62  1  0.93648561  0.11867626  0.06946911  1
  O  O63  1  0.88168951  0.06319470  0.43078792  1
  O  O64  1  0.06351528  0.88132345  0.93052907  1
  O  O65  1  0.11831039  0.93680801  0.56921098  1
  O  O66  1  0.69364281  0.15539698  0.23696783  1
  O  O67  1  0.84407739  0.30692957  0.26472869  1
  O  O68  1  0.30635939  0.84459861  0.76303704  1
  O  O69  1  0.15591917  0.69307331  0.73526935  1
  O  O70  1  0.64819591  0.08158336  0.05982192  1
  O  O71  1  0.92129550  0.35149358  0.44026056  1
  O  O72  1  0.35180900  0.91840889  0.94018311  1
  O  O73  1  0.07869770  0.64851116  0.55973895  1
