# generated using pymatgen
data_MnFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.91628756
_cell_length_b   10.90489741
_cell_length_c   10.92590653
_cell_angle_alpha   89.07647493
_cell_angle_beta   88.89632862
_cell_angle_gamma   63.56384848
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1164.36778971
_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
  Ni  Ni0  1  0.90291270  0.09814842  0.25134819  1
  Ni  Ni1  1  0.09708776  0.90185401  0.74865111  1
  Mn  Mn2  1  0.85141175  1.00105851  -0.00746376  1
  Fe  Fe3  1  0.00243050  0.14467853  0.50928350  1
  Mn  Mn4  1  0.14858874  -0.00105925  1.00746324  1
  Fe  Fe5  1  0.99756478  0.85532615  0.49071676  1
  H  H6  1  0.54142316  0.17196504  0.41453174  1
  H  H7  1  0.82752636  0.45987031  0.09183116  1
  H  H8  1  0.45858148  0.82802497  0.58547128  1
  H  H9  1  0.17247750  0.54012969  0.90816635  1
  H  H10  1  0.33903907  0.16023075  0.51656996  1
  H  H11  1  0.84124807  0.66175729  0.99127718  1
  H  H12  1  0.66096107  0.83976632  0.48343195  1
  H  H13  1  0.15876114  0.33824013  0.00872031  1
  H  H14  1  0.42502604  0.07628774  0.06425256  1
  H  H15  1  0.92422154  0.57350274  0.44299183  1
  H  H16  1  0.57497562  0.92370703  0.93575037  1
  H  H17  1  0.07576840  0.42650328  0.55700821  1
  H  H18  1  0.89255359  0.21730080  0.05500858  1
  H  H19  1  0.78899121  0.11058790  0.45311388  1
  H  H20  1  0.10744580  0.78270025  0.94498883  1
  H  H21  1  0.21100432  0.88941653  0.54688217  1
  C  C22  1  0.62546276  0.11817480  0.17576314  1
  C  C23  1  0.88202412  0.37316620  0.32877753  1
  C  C24  1  0.37454008  0.88181813  0.82423974  1
  C  C25  1  0.11797166  0.62683841  0.67122234  1
  C  C26  1  0.49885695  0.12052861  0.23382363  1
  C  C27  1  0.88075410  0.50016024  0.27255900  1
  C  C28  1  0.50114548  0.87946551  0.76617904  1
  C  C29  1  0.11924377  0.49984304  0.72743916  1
  C  C30  1  0.47194204  0.14749406  0.36098830  1
  C  C31  1  0.85350361  0.52820342  0.14576186  1
  C  C32  1  0.52805902  0.85249924  0.63901324  1
  C  C33  1  0.14649921  0.47179708  0.85423604  1
  C  C34  1  0.35963615  0.14174736  0.41896311  1
  C  C35  1  0.86026680  0.64016559  0.08856475  1
  C  C36  1  0.64036451  0.85824923  0.58103793  1
  C  C37  1  0.13973924  0.35983313  0.91143243  1
  C  C38  1  0.27384918  0.10875531  0.34753045  1
  C  C39  1  0.89417748  0.72499250  0.16092548  1
  C  C40  1  0.72614899  0.89124478  0.65247037  1
  C  C41  1  0.10582836  0.27500633  0.83907336  1
  C  C42  1  0.29929232  0.08383759  0.22147991  1
  C  C43  1  0.91729660  0.69984557  0.28695703  1
  C  C44  1  0.70070613  0.91616230  0.77852175  1
  C  C45  1  0.08270289  0.30015616  0.71304244  1
  C  C46  1  0.40948534  0.09269333  0.16232835  1
  C  C47  1  0.90879120  0.58905324  0.34493973  1
  C  C48  1  0.59051598  0.90730213  0.83767180  1
  C  C49  1  0.09120409  0.41095112  0.65506028  1
  N  N50  1  0.16254089  0.08522511  0.37611450  1
  N  N51  1  0.91697535  0.83590391  0.13178553  1
  N  N52  1  0.83745494  0.91477901  0.62388557  1
  N  N53  1  0.08303467  0.16409172  0.86821265  1
  N  N54  1  0.12429743  0.04482909  0.27453150  1
  N  N55  1  0.95274222  0.87786781  0.23244505  1
  N  N56  1  0.87569707  0.95517668  0.72546800  1
  N  N57  1  0.04726279  0.12213108  0.76755363  1
  N  N58  1  0.20405676  0.04464915  0.18082098  1
  N  N59  1  0.95241561  0.79855517  0.32821468  1
  N  N60  1  0.79593949  0.95535471  0.81917910  1
  N  N61  1  0.04758359  0.20144694  0.67178489  1
  O  O62  1  0.93530360  0.11878403  0.06998266  1
  O  O63  1  0.88627806  0.06658015  0.43292678  1
  O  O64  1  0.06469571  0.88121757  0.93001556  1
  O  O65  1  0.11371848  0.93342390  0.56707319  1
  O  O66  1  0.69999401  0.14876340  0.24450326  1
  O  O67  1  0.84764436  0.30214645  0.25901448  1
  O  O68  1  0.30000738  0.85123322  0.75549855  1
  O  O69  1  0.15235179  0.69785680  0.74098300  1
  O  O70  1  0.65030593  0.08306248  0.06339269  1
  O  O71  1  0.91908920  0.34499851  0.44017966  1
  O  O72  1  0.34969873  0.91692711  0.93661162  1
  O  O73  1  0.08090379  0.65500715  0.55981927  1
