# generated using pymatgen
data_Mn2FeH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.99469450
_cell_length_b   10.99747639
_cell_length_c   10.97107952
_cell_angle_alpha   89.07820724
_cell_angle_beta   88.84523184
_cell_angle_gamma   63.20944844
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeH8C14(NO)6
_chemical_formula_sum   'Mn4 Fe2 H16 C28 N12 O12'
_cell_volume   1183.88667735
_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
  Mn  Mn0  1  0.89439166  0.10303163  0.24760096  1
  Mn  Mn1  1  0.10560765  0.89697060  0.75239786  1
  Fe  Fe2  1  0.85695524  0.99358898  -0.00776541  1
  Mn  Mn3  1  -0.00077779  0.14879421  0.50738354  1
  Fe  Fe4  1  0.14304585  0.00640783  1.00776466  1
  Mn  Mn5  1  1.00077693  0.85120895  0.49261621  1
  H  H6  1  0.53766786  0.17557098  0.40208534  1
  H  H7  1  0.82288039  0.46137668  0.09327673  1
  H  H8  1  0.46233450  0.82441979  0.59791910  1
  H  H9  1  0.17712399  0.53862380  0.90671997  1
  H  H10  1  0.34013399  0.15952754  0.50601454  1
  H  H11  1  0.83325506  0.66077681  0.98834045  1
  H  H12  1  0.65986445  0.84046964  0.49398674  1
  H  H13  1  0.16675470  0.33922094  0.01165649  1
  H  H14  1  0.42275902  0.07673981  0.05474550  1
  H  H15  1  0.93073937  0.57617575  0.43669538  1
  H  H16  1  0.57724492  0.92325440  0.94525667  1
  H  H17  1  0.06925112  0.42382949  0.56330502  1
  H  H18  1  0.88733744  0.21213780  0.02640234  1
  H  H19  1  0.78399344  0.10168741  0.46624163  1
  H  H20  1  0.11266468  0.78786011  0.97359367  1
  H  H21  1  0.21600715  0.89831560  0.53375681  1
  C  C22  1  0.62059777  0.12159400  0.16549000  1
  C  C23  1  0.88281210  0.37896610  0.33056295  1
  C  C24  1  0.37940479  0.87840184  0.83451240  1
  C  C25  1  0.11718364  0.62103739  0.66943481  1
  C  C26  1  0.49601077  0.12178259  0.22305568  1
  C  C27  1  0.88025164  0.50334617  0.27076743  1
  C  C28  1  0.50399173  0.87821236  0.77694662  1
  C  C29  1  0.11974551  0.49665694  0.72923135  1
  C  C30  1  0.46986962  0.14898547  0.34975420  1
  C  C31  1  0.84964217  0.52974631  0.14477398  1
  C  C32  1  0.53013165  0.85100829  0.65024845  1
  C  C33  1  0.15036023  0.47025475  0.85522358  1
  C  C34  1  0.36050872  0.14078897  0.40886256  1
  C  C35  1  0.85464039  0.64031441  0.08506473  1
  C  C36  1  0.63949017  0.85920816  0.59113860  1
  C  C37  1  0.14536512  0.35968546  0.91493300  1
  C  C38  1  0.27647488  0.10599494  0.33836663  1
  C  C39  1  0.89139473  0.72424019  0.15376374  1
  C  C40  1  0.72352278  0.89400550  0.66163354  1
  C  C41  1  0.10860860  0.27576042  0.84623534  1
  C  C42  1  0.30050675  0.08182682  0.21262176  1
  C  C43  1  0.92276208  0.69733283  0.27802215  1
  C  C44  1  0.69949310  0.91817147  0.78737878  1
  C  C45  1  0.07723548  0.30266981  0.72197812  1
  C  C46  1  0.40820041  0.09225379  0.15265966  1
  C  C47  1  0.91219391  0.59062386  0.33943746  1
  C  C48  1  0.59180207  0.90774134  0.84734235  1
  C  C49  1  0.08780037  0.40938044  0.66056246  1
  N  N50  1  0.16915671  0.07954846  0.36980052  1
  N  N51  1  0.91408141  0.83469095  0.12384180  1
  N  N52  1  0.83083799  0.92045646  0.63019852  1
  N  N53  1  0.08592300  0.16530936  0.87615886  1
  N  N54  1  0.13042906  0.03831646  0.27107839  1
  N  N55  1  0.96485222  0.86726878  0.22151908  1
  N  N56  1  0.86956652  0.96168841  0.72892037  1
  N  N57  1  0.03515198  0.13273025  0.77848288  1
  N  N58  1  0.20575376  0.04128760  0.17409960  1
  N  N59  1  0.96846545  0.78791759  0.31540123  1
  N  N60  1  0.79424449  0.95871394  0.82590008  1
  N  N61  1  0.03153160  0.21208450  0.68460053  1
  O  O62  1  0.93065262  0.11900302  0.05752017  1
  O  O63  1  0.87788443  0.06472719  0.43649860  1
  O  O64  1  0.06934706  0.88099560  0.94247791  1
  O  O65  1  0.12211648  0.93527530  0.56350045  1
  O  O66  1  0.68613848  0.16449105  0.23181720  1
  O  O67  1  0.84334715  0.30922898  0.26626107  1
  O  O68  1  0.31386079  0.83550698  0.76818466  1
  O  O69  1  0.15665009  0.69077432  0.73373466  1
  O  O70  1  0.65429050  0.07606271  0.05694071  1
  O  O71  1  0.92735165  0.34965614  0.43953649  1
  O  O72  1  0.34571244  0.92393232  0.94306181  1
  O  O73  1  0.07264181  0.65034709  0.56046232  1
