# generated using pymatgen
data_Mn4NiH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36108437
_cell_length_b   9.71948439
_cell_length_c   13.66747118
_cell_angle_alpha   103.41684010
_cell_angle_beta   90.00003777
_cell_angle_gamma   90.00015918
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4NiH32C12(NO2)6
_chemical_formula_sum   'Mn8 Ni2 H64 C24 N12 O24'
_cell_volume   1209.59481458
_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  0.09510947  0.84868390  0.73510927  1
  Mn  Mn1  1  0.59520076  0.65138897  0.76485829  1
  Mn  Mn2  1  0.90483641  0.15142379  0.26485639  1
  Mn  Mn3  1  0.40483187  0.34857847  0.23514241  1
  Mn  Mn4  1  0.95117483  0.55068635  0.72343533  1
  Mn  Mn5  1  0.45114143  0.94930158  0.77656916  1
  Mn  Mn6  1  0.04884756  0.44934006  0.27657069  1
  Mn  Mn7  1  0.54885531  0.05067037  0.22342313  1
  Ni  Ni8  1  0.00002055  0.99998737  0.99998192  1
  Ni  Ni9  1  0.50001814  0.50000890  0.50001672  1
  H  H10  1  0.18091599  0.19984774  0.09712281  1
  H  H11  1  0.68091558  0.30014424  0.40287408  1
  H  H12  1  0.81909857  0.80011691  0.90286918  1
  H  H13  1  0.31909298  0.69988583  0.59713295  1
  H  H14  1  0.27067962  0.09879568  1.00128767  1
  H  H15  1  0.77066743  0.40120950  0.49871162  1
  H  H16  1  0.72938511  0.90121685  -0.00128731  1
  H  H17  1  0.22938041  0.59878535  0.50129165  1
  H  H18  1  0.53681278  0.47161044  0.87789178  1
  H  H19  1  0.03682833  0.02840017  0.62216330  1
  H  H20  1  0.46315432  0.52835689  0.12213177  1
  H  H21  1  0.96317488  0.97162389  0.37786286  1
  H  H22  1  0.53745254  0.22736926  0.89302059  1
  H  H23  1  0.03743522  0.27261728  0.60698116  1
  H  H24  1  0.46255921  0.77263071  0.10698772  1
  H  H25  1  0.96253293  0.72737847  0.39302810  1
  H  H26  1  0.77035024  0.03689831  0.85404961  1
  H  H27  1  0.27034993  0.46310624  0.64595462  1
  H  H28  1  0.22963782  0.96310976  0.14594778  1
  H  H29  1  0.72964694  0.53690178  0.35405303  1
  H  H30  1  0.92065059  0.10994511  0.80836577  1
  H  H31  1  0.42065887  0.39005068  0.69163829  1
  H  H32  1  0.07933545  0.89005897  0.19164092  1
  H  H33  1  0.57936707  0.60996983  0.30836457  1
  H  H34  1  0.21452258  0.32432268  0.96512331  1
  H  H35  1  0.71452118  0.17567083  0.53487613  1
  H  H36  1  0.78547837  0.67565363  0.03487386  1
  H  H37  1  0.28548355  0.82434817  0.46512813  1
  H  H38  1  0.14773433  0.17087905  0.87987513  1
  H  H39  1  0.64773928  0.32912187  0.62012290  1
  H  H40  1  0.85225639  0.82909312  0.12012166  1
  H  H41  1  0.35224801  0.67090101  0.37987972  1
  H  H42  1  0.57865495  0.38778525  0.06599276  1
  H  H43  1  0.07864511  0.11215188  0.43393768  1
  H  H44  1  0.42143459  0.61211358  0.93389845  1
  H  H45  1  0.92103548  0.88743529  0.56570747  1
  H  H46  1  0.74222332  0.43743062  0.00469070  1
  H  H47  1  0.24221515  0.06256031  0.49528259  1
  H  H48  1  0.25781429  0.56255961  0.99529858  1
  H  H49  1  0.75775883  0.93744802  0.50468725  1
  H  H50  1  0.79677186  0.26792310  0.10745805  1
  H  H51  1  0.29676786  0.23208727  0.39254938  1
  H  H52  1  0.20324989  0.73204406  0.89254351  1
  H  H53  1  0.70320302  0.76790795  0.60748037  1
  H  H54  1  0.69006899  0.13565869  0.03067596  1
  H  H55  1  0.19006854  0.36434924  0.46933246  1
  H  H56  1  0.30992836  0.86432346  0.96932831  1
  H  H57  1  0.80992090  0.63565445  0.53068264  1
  H  H58  1  0.79629527  0.33393810  0.81474768  1
  H  H59  1  0.29629002  0.16605525  0.68524322  1
  H  H60  1  0.20369935  0.66606725  0.18525267  1
  H  H61  1  0.70370527  0.83394303  0.31476831  1
  H  H62  1  0.68590475  0.19110300  0.75450061  1
  H  H63  1  0.18588432  0.30888351  0.74549232  1
  H  H64  1  0.31408435  0.80890447  0.24550730  1
  H  H65  1  0.81412324  0.69111869  0.25454090  1
  H  H66  1  0.98282374  0.36004752  0.05448609  1
  H  H67  1  0.48281896  0.13995098  0.44551777  1
  H  H68  1  0.01719224  0.63992571  0.94551694  1
  H  H69  1  0.51717695  0.86007601  0.55448496  1
  H  H70  1  0.96955918  0.36402680  0.92342539  1
  H  H71  1  0.46955450  0.13597051  0.57657591  1
  H  H72  1  0.03046180  0.63595308  0.07657432  1
  H  H73  1  0.53045036  0.86403859  0.42342172  1
  C  C74  1  0.82995508  0.13540612  0.85949868  1
  C  C75  1  0.32996516  0.36460275  0.64050990  1
  C  C76  1  0.17001493  0.86461135  0.14050403  1
  C  C77  1  0.67004770  0.63541301  0.35951238  1
  C  C78  1  0.13886734  0.23588647  0.95645868  1
  C  C79  1  0.63886852  0.26410869  0.54354138  1
  C  C80  1  0.86113943  0.76408540  0.04353966  1
  C  C81  1  0.36114103  0.73590850  0.45646050  1
  C  C82  1  0.67470975  0.34365661  0.99916117  1
  C  C83  1  0.17472440  0.15635533  0.50083044  1
  C  C84  1  0.32529713  0.65635259  0.00083416  1
  C  C85  1  0.82532961  0.84371705  0.49920891  1
  C  C86  1  0.75808128  0.22760627  0.03103620  1
  C  C87  1  0.25808717  0.27240424  0.46897010  1
  C  C88  1  0.24190925  0.77238362  0.96897021  1
  C  C89  1  0.74192639  0.72762950  0.53106392  1
  C  C90  1  0.73310529  0.24398575  0.82677743  1
  C  C91  1  0.23311443  0.25602226  0.67321992  1
  C  C92  1  0.26686471  0.75604053  0.17322921  1
  C  C93  1  0.76691004  0.74400941  0.32681208  1
  C  C94  1  0.98934604  0.29618795  0.97655000  1
  C  C95  1  0.48934404  0.20381312  0.52345381  1
  C  C96  1  0.01066287  0.70379441  0.02345384  1
  C  C97  1  0.51066220  0.79620619  0.47654919  1
  N  N98  1  0.88119155  0.18164298  0.96420263  1
  N  N99  1  0.38120140  0.31837054  0.53580346  1
  N  N100  1  0.11878264  0.81836902  0.03579410  1
  N  N101  1  0.61882846  0.68167075  0.46422167  1
  N  N102  1  0.17339201  0.14333839  0.02369809  1
  N  N103  1  0.67338493  0.35665343  0.47629722  1
  N  N104  1  0.82664821  0.85663370  0.97629302  1
  N  N105  1  0.32664596  0.64336732  0.52371122  1
  N  N106  1  0.61962324  0.30034137  0.89888465  1
  N  N107  1  0.11967160  0.19972131  0.60108666  1
  N  N108  1  0.38032677  0.69972400  0.10110092  1
  N  N109  1  0.88041776  0.80040216  0.39888887  1
  O  O110  1  0.05455377  0.96203726  0.85864541  1
  O  O111  1  0.55459718  0.53799690  0.64133395  1
  O  O112  1  0.94533781  0.03811428  0.14128518  1
  O  O113  1  0.44531426  0.46187982  0.35872078  1
  O  O114  1  -0.00470511  0.93926304  0.63362189  1
  O  O115  1  0.49519626  0.56078574  0.86655708  1
  O  O116  1  1.00481824  0.06079117  0.36651875  1
  O  O117  1  0.50479334  0.43921080  0.13349200  1
  O  O118  1  0.90186544  0.40696912  0.63839272  1
  O  O119  1  0.40186468  0.09302450  0.86161884  1
  O  O120  1  0.09814903  0.59305258  0.36161541  1
  O  O121  1  0.59814054  0.90694978  0.13837306  1
  O  O122  1  0.06090259  0.65080605  0.66533724  1
  O  O123  1  0.56088391  0.84919113  0.83468680  1
  O  O124  1  0.93912117  0.34923917  0.33470336  1
  O  O125  1  0.43913053  0.15076740  0.16528765  1
  O  O126  1  0.30677849  0.84154875  0.73083410  1
  O  O127  1  0.80674922  0.65842726  0.76919127  1
  O  O128  1  0.69324633  0.15843891  0.26920562  1
  O  O129  1  0.19323503  0.34157228  0.23079722  1
  O  O130  1  0.03863050  0.51086256  0.81937493  1
  O  O131  1  0.53862658  0.98910671  0.68063144  1
  O  O132  1  0.96134401  0.48915523  0.18064723  1
  O  O133  1  0.46134398  0.01087063  0.31934821  1
