# generated using pymatgen
data_CrFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86022045
_cell_length_b   10.85600444
_cell_length_c   10.85989395
_cell_angle_alpha   89.23217772
_cell_angle_beta   89.02096557
_cell_angle_gamma   63.80138114
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeNiH8C14(NO)6
_chemical_formula_sum   'Cr2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1148.64081853
_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
  Cr  Cr0  1  0.90405825  0.09764313  0.25171748  1
  Cr  Cr1  1  0.09594051  0.90235911  0.74828041  1
  Fe  Fe2  1  0.85461410  0.99180298  -0.00724755  1
  Ni  Ni3  1  0.01617487  0.14569776  0.50620430  1
  Fe  Fe4  1  0.14538826  0.00819326  1.00724846  1
  Ni  Ni5  1  0.98382154  0.85430764  0.49379519  1
  H  H6  1  0.53674710  0.16792507  0.41561718  1
  H  H7  1  0.83094856  0.46398823  0.08722832  1
  H  H8  1  0.46325554  0.83206436  0.58438675  1
  H  H9  1  0.16905654  0.53601310  0.91276839  1
  H  H10  1  0.33327887  0.15587337  0.51378117  1
  H  H11  1  0.84314508  0.66810298  0.99020538  1
  H  H12  1  0.66671738  0.84412536  0.48621984  1
  H  H13  1  0.15686200  0.33189793  0.00979296  1
  H  H14  1  0.42405116  0.07418866  0.05972734  1
  H  H15  1  0.92886323  0.57338476  0.44288404  1
  H  H16  1  0.57595120  0.92580751  0.94027436  1
  H  H17  1  0.07112878  0.42662089  0.55711632  1
  H  H18  1  0.87931625  0.21310629  0.04473261  1
  H  H19  1  0.79356098  0.12326265  0.45902858  1
  H  H20  1  0.12068419  0.78689584  0.95526498  1
  H  H21  1  0.20643694  0.87674134  0.54096931  1
  C  C22  1  0.62514415  0.11673518  0.17598287  1
  C  C23  1  0.88411434  0.37414028  0.32603413  1
  C  C24  1  0.37485804  0.88325572  0.82401977  1
  C  C25  1  0.11588168  0.62586384  0.67396375  1
  C  C26  1  0.49739151  0.11778011  0.23174341  1
  C  C27  1  0.88363107  0.50201982  0.27080623  1
  C  C28  1  0.50261083  0.88221181  0.76825960  1
  C  C29  1  0.11636721  0.49798376  0.72919224  1
  C  C30  1  0.46826542  0.14348582  0.35956864  1
  C  C31  1  0.85654272  0.53181610  0.14329467  1
  C  C32  1  0.53173559  0.85650673  0.64043432  1
  C  C33  1  0.14346004  0.46818608  0.85670347  1
  C  C34  1  0.35451552  0.13784246  0.41563091  1
  C  C35  1  0.86236664  0.64565122  0.08800928  1
  C  C36  1  0.64548261  0.86215409  0.58437068  1
  C  C37  1  0.13763917  0.35434944  0.91198937  1
  C  C38  1  0.26682825  0.10694973  0.34228810  1
  C  C39  1  0.89469492  0.73145518  0.16226485  1
  C  C40  1  0.73316990  0.89304914  0.65771202  1
  C  C41  1  0.10531044  0.26854525  0.83773447  1
  C  C42  1  0.29351386  0.08455112  0.21545689  1
  C  C43  1  0.91824413  0.70560673  0.28883698  1
  C  C44  1  0.70648523  0.91544714  0.78454351  1
  C  C45  1  0.08175431  0.29439647  0.71116337  1
  C  C46  1  0.40739390  0.09073316  0.15837344  1
  C  C47  1  0.91196350  0.59108232  0.34454613  1
  C  C48  1  0.59260758  0.90926159  0.84162851  1
  C  C49  1  0.08803158  0.40892225  0.65545351  1
  N  N50  1  0.15153462  0.08827534  0.36904764  1
  N  N51  1  0.91346921  0.84582468  0.13488957  1
  N  N52  1  0.84846016  0.91172976  0.63095121  1
  N  N53  1  0.08654426  0.15417143  0.86510962  1
  N  N54  1  0.10859304  0.05562027  0.26534031  1
  N  N55  1  0.94615372  0.89010329  0.23853018  1
  N  N56  1  0.89140168  0.94438538  0.73465774  1
  N  N57  1  0.05385089  0.10989681  0.76147055  1
  N  N58  1  0.19248195  0.05492277  0.17069546  1
  N  N59  1  0.94783647  0.80795173  0.33309739  1
  N  N60  1  0.80751485  0.94508010  0.82930353  1
  N  N61  1  0.05216041  0.19205246  0.66690351  1
  O  O62  1  0.92854108  0.11650907  0.06814322  1
  O  O63  1  0.88917136  0.07454874  0.43198774  1
  O  O64  1  0.07145836  0.88349223  0.93185376  1
  O  O65  1  0.11082708  0.92545485  0.56801146  1
  O  O66  1  0.70069993  0.14646338  0.24823010  1
  O  O67  1  0.85283627  0.30010056  0.25282738  1
  O  O68  1  0.29929948  0.85353422  0.75177055  1
  O  O69  1  0.14716095  0.69990287  0.74717056  1
  O  O70  1  0.65179946  0.08511484  0.06325902  1
  O  O71  1  0.91604654  0.34669931  0.43812605  1
  O  O72  1  0.34820499  0.91486983  0.93674470  1
  O  O73  1  0.08394832  0.65330411  0.56187224  1
