# generated using pymatgen
data_MnFe2Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36313934
_cell_length_b   9.71752085
_cell_length_c   13.65023676
_cell_angle_alpha   103.60837946
_cell_angle_beta   90.00000803
_cell_angle_gamma   89.99998175
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe2Ni2H32C12(NO2)6
_chemical_formula_sum   'Mn2 Fe4 Ni4 H64 C24 N12 O24'
_cell_volume   1207.12048665
_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  0.10583933  0.83581167  0.74042960  1
  Ni  Ni1  1  0.60589147  0.66433200  0.75961553  1
  Ni  Ni2  1  0.89419423  0.16384544  0.25963029  1
  Ni  Ni3  1  0.39422557  0.33625940  0.24043334  1
  Fe  Fe4  1  0.93894330  0.55346917  0.73209412  1
  Fe  Fe5  1  0.43896322  0.94655287  0.76786836  1
  Fe  Fe6  1  0.06102655  0.44654125  0.26780871  1
  Fe  Fe7  1  0.56101753  0.05346869  0.23217497  1
  Mn  Mn8  1  0.00303417  0.99621175  1.00130982  1
  Mn  Mn9  1  0.50323009  0.50409453  0.49866821  1
  H  H10  1  0.17667172  0.20979810  0.09424092  1
  H  H11  1  0.67657780  0.29030701  0.40580953  1
  H  H12  1  0.82271992  0.78927316  0.90566675  1
  H  H13  1  0.32262104  0.71076074  0.59433762  1
  H  H14  1  0.26681591  0.09812110  1.00143956  1
  H  H15  1  0.76676785  0.40190870  0.49860801  1
  H  H16  1  0.73354204  0.90235608  -0.00126507  1
  H  H17  1  0.23358137  0.59758641  0.50125136  1
  H  H18  1  0.57184752  0.44525575  0.85560820  1
  H  H19  1  0.07171691  0.05477564  0.64439887  1
  H  H20  1  0.42748609  0.55485139  0.14407034  1
  H  H21  1  0.92739141  0.94517525  0.35594099  1
  H  H22  1  0.45750292  0.18539180  0.88341082  1
  H  H23  1  -0.04246479  0.31466649  0.61651550  1
  H  H24  1  0.54251043  0.81452994  0.11684656  1
  H  H25  1  1.04254605  0.68554011  0.38309332  1
  H  H26  1  0.73350798  0.03325490  0.86012798  1
  H  H27  1  0.23359344  0.46665142  0.63981068  1
  H  H28  1  0.26669225  0.96768689  0.14068840  1
  H  H29  1  0.76677514  0.53226180  0.35924228  1
  H  H30  1  0.88849752  0.06648914  0.79492647  1
  H  H31  1  0.38847112  0.43345005  0.70513525  1
  H  H32  1  0.11108875  0.93395058  0.20533431  1
  H  H33  1  0.61111394  0.56596097  0.29466747  1
  H  H34  1  0.20428891  0.31851707  0.95928625  1
  H  H35  1  0.70446656  0.18159573  0.54074912  1
  H  H36  1  0.79608540  0.68040134  0.04114358  1
  H  H37  1  0.29620719  0.81971240  0.45892371  1
  H  H38  1  0.16482750  0.15833010  0.87156377  1
  H  H39  1  0.66474109  0.34171303  0.62847786  1
  H  H40  1  0.83447082  0.84125566  0.12848737  1
  H  H41  1  0.33423782  0.65880969  0.37153964  1
  H  H42  1  0.52589234  0.41243376  0.10715541  1
  H  H43  1  0.02590930  0.08752348  0.39285750  1
  H  H44  1  0.47341113  0.58765834  0.89231722  1
  H  H45  1  0.97342858  0.91224254  0.60760311  1
  H  H46  1  0.68640265  0.45817728  0.03642745  1
  H  H47  1  0.18630587  0.04171583  0.46364796  1
  H  H48  1  0.31238588  0.54250517  0.96333822  1
  H  H49  1  0.81229500  0.95746862  0.53669455  1
  H  H50  1  0.80428226  0.27790400  0.09666624  1
  H  H51  1  0.30435816  0.22198940  0.40336123  1
  H  H52  1  0.19596008  0.72283325  0.90293614  1
  H  H53  1  0.69601815  0.77709118  0.59707581  1
  H  H54  1  0.68870889  0.15031986  0.02516563  1
  H  H55  1  0.18880029  0.34962925  0.47487794  1
  H  H56  1  0.31197613  0.85003860  0.97451848  1
  H  H57  1  0.81198556  0.64987558  0.52547958  1
  H  H58  1  0.80482698  0.28756658  0.77195545  1
  H  H59  1  0.30462627  0.21243864  0.72812988  1
  H  H60  1  0.19476521  0.71293919  0.22808281  1
  H  H61  1  0.69460944  0.78702511  0.27194385  1
  H  H62  1  0.65267403  0.17960687  0.75447284  1
  H  H63  1  0.15252040  0.32048564  0.74558809  1
  H  H64  1  0.34706264  0.82071026  0.24530099  1
  H  H65  1  0.84697632  0.67937972  0.25469661  1
  H  H66  1  0.97395939  0.42754452  0.09997373  1
  H  H67  1  0.47393269  0.07236149  0.39997631  1
  H  H68  1  0.02660837  0.57331062  0.89970784  1
  H  H69  1  0.52655903  0.92647955  0.60026751  1
  H  H70  1  0.96819092  0.36600998  0.91602969  1
  H  H71  1  0.46822218  0.13368775  0.58374712  1
  H  H72  1  0.03391251  0.63577149  0.08419154  1
  H  H73  1  0.53399729  0.86406626  0.41574876  1
  C  C74  1  0.80792746  0.11602915  0.84989686  1
  C  C75  1  0.30794082  0.38389752  0.65014335  1
  C  C76  1  0.19186850  0.88492089  0.15033872  1
  C  C77  1  0.69189289  0.61502215  0.34964909  1
  C  C78  1  0.13587036  0.22392832  0.94640543  1
  C  C79  1  0.63586878  0.27606152  0.55363635  1
  C  C80  1  0.86368154  0.77549092  0.05377478  1
  C  C81  1  0.36367819  0.72451867  0.44621129  1
  C  C82  1  0.69211208  0.35367002  0.98395973  1
  C  C83  1  0.19203545  0.14632745  0.51609457  1
  C  C84  1  0.30712025  0.64703370  0.01579653  1
  C  C85  1  0.80708000  0.85294709  0.48423926  1
  C  C86  1  0.76076775  0.23831333  0.02121710  1
  C  C87  1  0.26083511  0.26160827  0.47881057  1
  C  C88  1  0.23932044  0.76259960  0.97841883  1
  C  C89  1  0.73935181  0.73732451  0.52158978  1
  C  C90  1  0.73006664  0.23120109  0.81170075  1
  C  C91  1  0.22990803  0.26881579  0.68835798  1
  C  C92  1  0.26928911  0.76930748  0.18821236  1
  C  C93  1  0.76920698  0.73071493  0.31180420  1
  C  C94  1  0.98677817  0.26942317  0.94548660  1
  C  C95  1  0.48678747  0.23047646  0.55452976  1
  C  C96  1  0.01303167  0.73126221  0.05431865  1
  C  C97  1  0.51304207  0.76863897  0.44566307  1
  N  N98  1  0.87606119  0.17602829  0.94942946  1
  N  N99  1  0.37609717  0.32383652  0.55064639  1
  N  N100  1  0.12341106  0.82624227  0.05015777  1
  N  N101  1  0.62341661  0.67362112  0.44986275  1
  N  N102  1  0.16769969  0.14131179  0.02092420  1
  N  N103  1  0.66763426  0.35874590  0.47913077  1
  N  N104  1  0.83194672  0.85767762  0.97907549  1
  N  N105  1  0.33193464  0.64235393  0.52093524  1
  N  N106  1  0.65603041  0.33408007  0.89082736  1
  N  N107  1  0.15591595  0.16595053  0.60918265  1
  N  N108  1  0.34302508  0.66635715  0.10898478  1
  N  N109  1  0.84296519  0.83365364  0.39101708  1
  O  O110  1  0.06337451  0.92386588  0.87511509  1
  O  O111  1  0.56366097  0.57657243  0.62483503  1
  O  O112  1  0.93875145  0.07314641  0.12566125  1
  O  O113  1  0.43893102  0.42714755  0.37434898  1
  O  O114  1  0.00775126  0.97847268  0.66821756  1
  O  O115  1  0.50787744  0.52147493  0.83172132  1
  O  O116  1  0.99166783  0.02117536  0.33226372  1
  O  O117  1  0.49176547  0.47885196  0.16774331  1
  O  O118  1  0.88036277  0.38150452  0.64036496  1
  O  O119  1  0.38028299  0.11869520  0.85936708  1
  O  O120  1  0.11979781  0.61892914  0.35901564  1
  O  O121  1  0.61975019  0.88118701  0.14085605  1
  O  O122  1  0.04506246  0.66142745  0.66375887  1
  O  O123  1  0.54511933  0.83867601  0.83627810  1
  O  O124  1  0.95434562  0.33879445  0.33598143  1
  O  O125  1  0.45438145  0.16126406  0.16404529  1
  O  O126  1  0.29541917  0.83425899  0.69709352  1
  O  O127  1  0.79544752  0.66568590  0.80297755  1
  O  O128  1  0.70447525  0.16589270  0.30289492  1
  O  O129  1  0.20450300  0.33407386  0.19713684  1
  O  O130  1  0.04045759  0.49574120  0.84016518  1
  O  O131  1  0.54046525  1.00413951  0.65974175  1
  O  O132  1  0.95996325  0.50459073  0.15979583  1
  O  O133  1  0.45995215  -0.00466676  0.34014466  1
