# generated using pymatgen
data_Mn3Co2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35109944
_cell_length_b   9.70312460
_cell_length_c   13.66315251
_cell_angle_alpha   103.34838493
_cell_angle_beta   90.00001752
_cell_angle_gamma   90.00012477
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Co2H32C12(NO2)6
_chemical_formula_sum   'Mn6 Co4 H64 C24 N12 O24'
_cell_volume   1206.23246094
_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
  Co  Co0  1  0.10243819  0.87619925  0.73815677  1
  Co  Co1  1  0.60244134  0.62379223  0.76184314  1
  Co  Co2  1  0.89755970  0.12380074  0.26184208  1
  Co  Co3  1  0.39755681  0.37621048  0.23815931  1
  Mn  Mn4  1  0.95675151  0.56734834  0.72071467  1
  Mn  Mn5  1  0.45675056  0.93264367  0.77928813  1
  Mn  Mn6  1  0.04324680  0.43265364  0.27928714  1
  Mn  Mn7  1  0.54324697  0.06735594  0.22071097  1
  Mn  Mn8  1  0.00000000  0.99999999  0.99999951  1
  Mn  Mn9  1  0.50000071  0.50000066  0.50000090  1
  H  H10  1  0.19193699  0.19142093  0.08951951  1
  H  H11  1  0.69193152  0.30857500  0.41047711  1
  H  H12  1  0.80806422  0.80857859  0.91047935  1
  H  H13  1  0.30806912  0.69142569  0.58952413  1
  H  H14  1  0.27635507  0.09498468  0.98794868  1
  H  H15  1  0.77635451  0.40501165  0.51204500  1
  H  H16  1  0.72364520  0.90501415  0.01205008  1
  H  H17  1  0.22364595  0.59498897  0.48795628  1
  H  H18  1  0.56546331  0.43177168  0.85571253  1
  H  H19  1  0.06546355  0.06821764  0.64428591  1
  H  H20  1  0.43453528  0.56823074  0.14428992  1
  H  H21  1  0.93453525  0.93178384  0.35571272  1
  H  H22  1  0.54792650  0.21248688  0.88279707  1
  H  H23  1  0.04792457  0.28750358  0.61720509  1
  H  H24  1  0.45207220  0.78751377  0.11720209  1
  H  H25  1  0.95207561  0.71249766  0.38279525  1
  H  H26  1  0.77785788  0.03302487  0.84902224  1
  H  H27  1  0.27785730  0.46696941  0.65098007  1
  H  H28  1  0.22214168  0.96697572  0.15097597  1
  H  H29  1  0.72214396  0.53302923  0.34902257  1
  H  H30  1  0.92973390  0.10701518  0.80509611  1
  H  H31  1  0.42973220  0.39297803  0.69490674  1
  H  H32  1  0.07026519  0.89298615  0.19490189  1
  H  H33  1  0.57026828  0.60701827  0.30509495  1
  H  H34  1  0.21607109  0.32753832  0.96600003  1
  H  H35  1  0.71607129  0.17246002  0.53399804  1
  H  H36  1  0.78393002  0.67246041  0.03399815  1
  H  H37  1  0.28393010  0.82753963  0.46600262  1
  H  H38  1  0.14985904  0.18139267  0.87488691  1
  H  H39  1  0.64986133  0.31860627  0.62511109  1
  H  H40  1  0.85014183  0.81860556  0.12511195  1
  H  H41  1  0.35014035  0.68139291  0.37489005  1
  H  H42  1  0.57885932  0.36364525  0.04514460  1
  H  H43  1  0.07885828  0.13634678  0.45485522  1
  H  H44  1  0.42114071  0.63635274  0.95485494  1
  H  H45  1  0.92114160  0.86365583  0.54514394  1
  H  H46  1  0.73548675  0.43145353  0.00158934  1
  H  H47  1  0.23548687  0.06854234  0.49841212  1
  H  H48  1  0.26451265  0.56854629  0.99841070  1
  H  H49  1  0.76451193  0.93145813  0.50158672  1
  H  H50  1  0.79339015  0.25613727  0.10392058  1
  H  H51  1  0.29338736  0.24386168  0.39608114  1
  H  H52  1  0.20661095  0.74386193  0.89607823  1
  H  H53  1  0.70661494  0.75613986  0.60391986  1
  H  H54  1  0.69124848  0.12574481  0.02207259  1
  H  H55  1  0.19124657  0.37425149  0.47793099  1
  H  H56  1  0.30875274  0.87425430  0.97792614  1
  H  H57  1  0.80875626  0.62575032  0.52207000  1
  H  H58  1  0.80703527  0.33342157  0.81430804  1
  H  H59  1  0.30703471  0.16657299  0.68569391  1
  H  H60  1  0.19296354  0.66657993  0.18569181  1
  H  H61  1  0.69296428  0.83342285  0.31430396  1
  H  H62  1  0.70255266  0.18991774  0.74717100  1
  H  H63  1  0.20255193  0.31007647  0.75283022  1
  H  H64  1  0.29744612  0.81008404  0.25282809  1
  H  H65  1  0.79744820  0.68991814  0.24717015  1
  H  H66  1  0.98358753  0.35289895  0.05684477  1
  H  H67  1  0.48358522  0.14709749  0.44315590  1
  H  H68  1  0.01641361  0.64710069  0.94315325  1
  H  H69  1  0.51641606  0.85290286  0.55684523  1
  H  H70  1  0.96883154  0.36906358  0.92830852  1
  H  H71  1  0.46883392  0.13093394  0.57169302  1
  H  H72  1  0.03116965  0.63093585  0.07168971  1
  H  H73  1  0.53116763  0.86906507  0.42830767  1
  C  C74  1  0.83794329  0.13170816  0.85543668  1
  C  C75  1  0.33794229  0.36828597  0.64456510  1
  C  C76  1  0.16205611  0.86829262  0.14456179  1
  C  C77  1  0.66205841  0.63171201  0.35543650  1
  C  C78  1  0.14090947  0.23813348  0.95373478  1
  C  C79  1  0.64090961  0.26186458  0.54626352  1
  C  C80  1  0.85909132  0.76186564  0.04626387  1
  C  C81  1  0.35909162  0.73813501  0.45373753  1
  C  C82  1  0.67081365  0.33504861  0.99422533  1
  C  C83  1  0.17081249  0.16494629  0.50577562  1
  C  C84  1  0.32918633  0.66495087  0.00577422  1
  C  C85  1  0.82918735  0.83505486  0.49422386  1
  C  C86  1  0.75745896  0.21999949  0.02639678  1
  C  C87  1  0.25745752  0.27999718  0.47360546  1
  C  C88  1  0.24254176  0.77999999  0.97360215  1
  C  C89  1  0.74254414  0.72000386  0.52639523  1
  C  C90  1  0.74412428  0.24066415  0.82160475  1
  C  C91  1  0.24412329  0.25932954  0.67839659  1
  C  C92  1  0.25587463  0.75933690  0.17839438  1
  C  C93  1  0.75587643  0.74066749  0.32160321  1
  C  C94  1  0.99086085  0.29567853  0.97728821  1
  C  C95  1  0.49086053  0.20431856  0.52271245  1
  C  C96  1  0.00913993  0.70432089  0.02271013  1
  C  C97  1  0.50914060  0.79568113  0.47728862  1
  N  N98  1  0.88370525  0.17948122  0.96117524  1
  N  N99  1  0.38370454  0.32051529  0.53882657  1
  N  N100  1  0.11629503  0.82051856  0.03882313  1
  N  N101  1  0.61629661  0.67948453  0.46117500  1
  N  N102  1  0.17970594  0.13817636  0.01558097  1
  N  N103  1  0.67970371  0.36182064  0.48441594  1
  N  N104  1  0.82029477  0.86182304  0.98441796  1
  N  N105  1  0.32029690  0.63817958  0.51558550  1
  N  N106  1  0.62503144  0.29056015  0.88954739  1
  N  N107  1  0.12503090  0.20943215  0.61045395  1
  N  N108  1  0.37496787  0.70944025  0.11045237  1
  N  N109  1  0.87496853  0.79056809  0.38954545  1
  O  O110  1  0.04999211  0.91380695  0.86681386  1
  O  O111  1  0.55000378  0.58619613  0.63318355  1
  O  O112  1  0.95000796  0.08619345  0.13318531  1
  O  O113  1  0.44999778  0.41380539  0.36681829  1
  O  O114  1  0.01729455  0.98125289  0.65898976  1
  O  O115  1  0.51729430  0.51873277  0.84100317  1
  O  O116  1  0.98270503  0.01874824  0.34100914  1
  O  O117  1  0.48270552  0.48127184  0.15900165  1
  O  O118  1  0.91786902  0.43249579  0.62470019  1
  O  O119  1  0.41787154  0.06749364  0.87530548  1
  O  O120  1  0.08212940  0.56750340  0.37530361  1
  O  O121  1  0.58212503  0.93250953  0.12469094  1
  O  O122  1  0.04794717  0.68855931  0.67078510  1
  O  O123  1  0.54794951  0.81143232  0.82921508  1
  O  O124  1  0.95204729  0.31144203  0.32921359  1
  O  O125  1  0.45204853  0.18857043  0.17078707  1
  O  O126  1  0.30403706  0.85283266  0.72142673  1
  O  O127  1  0.80403980  0.64715908  0.77857848  1
  O  O128  1  0.69596083  0.14716354  0.27857386  1
  O  O129  1  0.19595862  0.35284319  0.22142370  1
  O  O130  1  0.05369340  0.51661388  0.80772473  1
  O  O131  1  0.55368756  0.98338169  0.69227700  1
  O  O132  1  0.94630798  0.48339263  0.19227759  1
  O  O133  1  0.44630981  0.01661405  0.30772025  1
