# generated using pymatgen
data_MnFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.92291563
_cell_length_b   10.91880014
_cell_length_c   10.89322483
_cell_angle_alpha   89.15089338
_cell_angle_beta   88.96439819
_cell_angle_gamma   63.53021770
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1162.76493220
_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  0.89460604  0.10444191  0.24769483  1
  Mn  Mn1  1  0.10539151  0.89556192  0.75230352  1
  Ni  Ni2  1  0.86035692  0.98148806  -0.00646313  1
  Fe  Fe3  1  0.01076345  0.14227119  0.50428762  1
  Ni  Ni4  1  0.13964491  0.01850983  1.00646229  1
  Fe  Fe5  1  0.98923200  0.85773268  0.49571203  1
  H  H6  1  0.53907864  0.16826567  0.40631038  1
  H  H7  1  0.82982090  0.46260157  0.08955567  1
  H  H8  1  0.46092527  0.83172399  0.59369317  1
  H  H9  1  0.17018290  0.53739820  0.91044238  1
  H  H10  1  0.33572225  0.15678444  0.50673525  1
  H  H11  1  0.83925521  0.66630895  0.98889247  1
  H  H12  1  0.66427732  0.84321189  0.49326630  1
  H  H13  1  0.16075321  0.33368851  0.01110467  1
  H  H14  1  0.42347180  0.07743231  0.05231737  1
  H  H15  1  0.92820454  0.57610721  0.44124095  1
  H  H16  1  0.57653182  0.92256239  0.94768498  1
  H  H17  1  0.07178727  0.42389952  0.55875945  1
  H  H18  1  0.87666723  0.20574707  0.02245470  1
  H  H19  1  0.78813796  0.11513128  0.47397676  1
  H  H20  1  0.12333369  0.79425245  0.97754038  1
  H  H21  1  0.21185937  0.88487271  0.52602051  1
  C  C22  1  0.62297871  0.11864284  0.16888824  1
  C  C23  1  0.88189614  0.37914220  0.32787809  1
  C  C24  1  0.37702324  0.88135201  0.83111499  1
  C  C25  1  0.11809902  0.62086224  0.67212143  1
  C  C26  1  0.49577809  0.11954483  0.22416287  1
  C  C27  1  0.88012569  0.50549480  0.27110435  1
  C  C28  1  0.50422387  0.88044902  0.77583997  1
  C  C29  1  0.11987241  0.49450814  0.72889455  1
  C  C30  1  0.46919887  0.14525494  0.35168954  1
  C  C31  1  0.85286762  0.53287116  0.14385021  1
  C  C32  1  0.53080325  0.85473820  0.64831314  1
  C  C33  1  0.14713506  0.46712962  0.85614798  1
  C  C34  1  0.35721743  0.13904294  0.40886191  1
  C  C35  1  0.85814932  0.64531914  0.08658751  1
  C  C36  1  0.64278261  0.86095341  0.59113960  1
  C  C37  1  0.14185642  0.35467992  0.91341072  1
  C  C38  1  0.27268865  0.10648657  0.33530876  1
  C  C39  1  0.89207660  0.73025294  0.15895616  1
  C  C40  1  0.72731006  0.89351297  0.66469179  1
  C  C41  1  0.10792744  0.26974677  0.84104174  1
  C  C42  1  0.29703771  0.08255357  0.20870686  1
  C  C43  1  0.91909122  0.70279767  0.28470150  1
  C  C44  1  0.70296136  0.91744561  0.79129400  1
  C  C45  1  0.08090822  0.29720428  0.71529762  1
  C  C46  1  0.40733980  0.09218165  0.15077967  1
  C  C47  1  0.90993203  0.59307391  0.34329304  1
  C  C48  1  0.59266191  0.90781394  0.84922212  1
  C  C49  1  0.09006390  0.40693030  0.65670670  1
  N  N50  1  0.16308890  0.08144721  0.36477536  1
  N  N51  1  0.91827388  0.83972745  0.13057201  1
  N  N52  1  0.83690721  0.91855594  0.63522468  1
  N  N53  1  0.08173371  0.16027029  0.86942639  1
  N  N54  1  0.12687712  0.03705240  0.26481828  1
  N  N55  1  0.96825388  0.87097532  0.22973360  1
  N  N56  1  0.87311746  0.96295323  0.73518143  1
  N  N57  1  0.03174989  0.12902416  0.77026617  1
  N  N58  1  0.20027995  0.04406037  0.16815220  1
  N  N59  1  0.96475483  0.79405917  0.32457928  1
  N  N60  1  0.79971614  0.95594309  0.83184771  1
  N  N61  1  0.03524578  0.20594197  0.67542057  1
  O  O62  1  0.92600615  0.11435614  0.05751972  1
  O  O63  1  0.88140127  0.06948986  0.44226310  1
  O  O64  1  0.07399504  0.88564414  0.94247717  1
  O  O65  1  0.11859638  0.93051294  0.55773451  1
  O  O66  1  0.68794615  0.15955888  0.23979677  1
  O  O67  1  0.84081068  0.31224279  0.25956502  1
  O  O68  1  0.31205418  0.84043829  0.76020596  1
  O  O69  1  0.15918392  0.68776156  0.74043385  1
  O  O70  1  0.65742917  0.07551536  0.05952181  1
  O  O71  1  0.92682995  0.34588585  0.43702995  1
  O  O72  1  0.34257374  0.92447879  0.94048210  1
  O  O73  1  0.07316423  0.65411821  0.56296919  1
