# generated using pymatgen
data_CrFe2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.93244508
_cell_length_b   10.93701013
_cell_length_c   10.95007075
_cell_angle_alpha   88.97995777
_cell_angle_beta   88.67564895
_cell_angle_gamma   63.41873601
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe2H8C14(NO)6
_chemical_formula_sum   'Cr2 Fe4 H16 C28 N12 O12'
_cell_volume   1170.53721433
_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  0.90935320  0.09624263  0.25905635  1
  Fe  Fe1  1  0.09064677  0.90375858  0.74094064  1
  Cr  Cr2  1  0.85747568  0.99355482  -0.00926664  1
  Fe  Fe3  1  0.01209369  0.14430658  0.50512952  1
  Cr  Cr4  1  0.14252517  0.00644498  1.00926667  1
  Fe  Fe5  1  0.98790392  0.85569793  0.49486996  1
  H  H6  1  0.54985126  0.16974872  0.40486508  1
  H  H7  1  0.82309826  0.46817082  0.09169789  1
  H  H8  1  0.45015243  0.83024189  0.59513893  1
  H  H9  1  0.17690377  0.53182930  0.90830025  1
  H  H10  1  0.34793842  0.15912322  0.50836249  1
  H  H11  1  0.83693249  0.66982883  0.99205793  1
  H  H12  1  0.65206109  0.84087316  0.49163942  1
  H  H13  1  0.16307537  0.33016820  0.00793832  1
  H  H14  1  0.42723903  0.08339915  0.05457923  1
  H  H15  1  0.92835300  0.57424333  0.44082687  1
  H  H16  1  0.57276477  0.91659478  0.94542323  1
  H  H17  1  0.07163926  0.42576166  0.55917305  1
  H  H18  1  0.89988993  0.20763123  0.04986451  1
  H  H19  1  0.78729371  0.12112765  0.47069926  1
  H  H20  1  0.10011033  0.79237039  0.95013371  1
  H  H21  1  0.21270514  0.87887574  0.52929900  1
  C  C22  1  0.63298169  0.11817126  0.16958720  1
  C  C23  1  0.88539551  0.37649284  0.32611263  1
  C  C24  1  0.36702010  0.88182439  0.83041622  1
  C  C25  1  0.11459936  0.62351017  0.67388743  1
  C  C26  1  0.50523214  0.12151973  0.22454130  1
  C  C27  1  0.88102073  0.50462954  0.27109311  1
  C  C28  1  0.49477063  0.87847404  0.77546171  1
  C  C29  1  0.11897682  0.49537355  0.72890641  1
  C  C30  1  0.47937078  0.14688571  0.35188752  1
  C  C31  1  0.85074170  0.53500401  0.14538448  1
  C  C32  1  0.52063197  0.85310714  0.64811555  1
  C  C33  1  0.14925988  0.46499702  0.85461367  1
  C  C34  1  0.36770411  0.14159831  0.41075648  1
  C  C35  1  0.85768002  0.64704212  0.08880218  1
  C  C36  1  0.63229666  0.85839768  0.58924515  1
  C  C37  1  0.14232483  0.35295612  0.91119495  1
  C  C38  1  0.28063253  0.11108446  0.33945136  1
  C  C39  1  0.89547804  0.72868165  0.16055216  1
  C  C40  1  0.71936626  0.88891501  0.66054924  1
  C  C41  1  0.10452622  0.27131732  0.83944568  1
  C  C42  1  0.30236404  0.09130960  0.21281811  1
  C  C43  1  0.92268911  0.70064364  0.28531968  1
  C  C44  1  0.69763557  0.90868905  0.78718273  1
  C  C45  1  0.07730996  0.29935771  0.71467952  1
  C  C46  1  0.41330369  0.09781148  0.15274663  1
  C  C47  1  0.91161021  0.59133595  0.34326283  1
  C  C48  1  0.58669862  0.90218348  0.84725524  1
  C  C49  1  0.08838558  0.40866746  0.65673628  1
  N  N50  1  0.17012611  0.08703718  0.37019794  1
  N  N51  1  0.92456720  0.83619051  0.13158285  1
  N  N52  1  0.82986944  0.91296744  0.62980101  1
  N  N53  1  0.07543853  0.16380692  0.86841543  1
  N  N54  1  0.13088323  0.04754263  0.27025884  1
  N  N55  1  0.96935562  0.87144187  0.23061073  1
  N  N56  1  0.86911192  0.95246342  0.72974023  1
  N  N57  1  0.03064753  0.12855721  0.76938803  1
  N  N58  1  0.20223661  0.05876416  0.17319634  1
  N  N59  1  0.96802765  0.79251775  0.32506316  1
  N  N60  1  0.79776061  0.94123918  0.82680315  1
  N  N61  1  0.03197203  0.20748383  0.67493590  1
  O  O62  1  0.94174839  0.11071170  0.07143037  1
  O  O63  1  0.88221885  0.07074065  0.44367516  1
  O  O64  1  0.05825131  0.88928972  0.92856714  1
  O  O65  1  0.11778081  0.92926247  0.55632411  1
  O  O66  1  0.70498178  0.14934318  0.23960473  1
  O  O67  1  0.85387937  0.30411684  0.25566914  1
  O  O68  1  0.29501973  0.85065218  0.76039848  1
  O  O69  1  0.14611511  0.69588826  0.74433058  1
  O  O70  1  0.66306701  0.08242626  0.05703039  1
  O  O71  1  0.92396617  0.34664648  0.43656388  1
  O  O72  1  0.33693420  0.91757152  0.94297200  1
  O  O73  1  0.07602783  0.65335743  0.56343375  1
