# generated using pymatgen
data_Mn3Ni2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35460113
_cell_length_b   9.71479955
_cell_length_c   13.64989911
_cell_angle_alpha   103.44418273
_cell_angle_beta   90.00001104
_cell_angle_gamma   90.00012444
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Ni2H32C12(NO2)6
_chemical_formula_sum   'Mn6 Ni4 H64 C24 N12 O24'
_cell_volume   1206.48362568
_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  0.09596003  0.85769902  0.73214906  1
  Mn  Mn1  1  0.59596270  0.64229542  0.76784978  1
  Mn  Mn2  1  0.90403773  0.14230187  0.26785133  1
  Mn  Mn3  1  0.40403582  0.35770521  0.23215081  1
  Ni  Ni4  1  0.94209203  0.54954332  0.72844311  1
  Ni  Ni5  1  0.44209246  0.95045005  0.77155779  1
  Ni  Ni6  1  0.05790831  0.45045822  0.27155779  1
  Ni  Ni7  1  0.55790651  0.04954920  0.22844132  1
  Mn  Mn8  1  -0.00000044  0.99999952  1.00000014  1
  Mn  Mn9  1  0.50000014  0.50000091  0.49999998  1
  H  H10  1  0.19091766  0.19352580  0.08656854  1
  H  H11  1  0.69091626  0.30647538  0.41343001  1
  H  H12  1  0.80908029  0.80647613  0.91343178  1
  H  H13  1  0.30908224  0.69352283  0.58657051  1
  H  H14  1  0.27582493  0.09720720  0.98421124  1
  H  H15  1  0.77582423  0.40279207  0.51578791  1
  H  H16  1  0.72417398  0.90279315  0.01578930  1
  H  H17  1  0.22417542  0.59720787  0.48421204  1
  H  H18  1  0.57901152  0.38457948  0.86715448  1
  H  H19  1  0.07901426  0.11541513  0.63284704  1
  H  H20  1  0.42098770  0.61542156  0.13284597  1
  H  H21  1  0.92098490  0.88458440  0.36715189  1
  H  H22  1  0.46887339  0.16543276  0.89294468  1
  H  H23  1  -0.03112967  0.33455908  0.60706148  1
  H  H24  1  0.53112350  0.83456925  0.10705533  1
  H  H25  1  1.03112876  0.66543907  0.39293756  1
  H  H26  1  0.75856186  0.03483072  0.85241605  1
  H  H27  1  0.25856292  0.46516534  0.64758698  1
  H  H28  1  0.24143719  0.96516743  0.14758259  1
  H  H29  1  0.74143766  0.53483599  0.35241468  1
  H  H30  1  0.91035997  0.09332311  0.79634346  1
  H  H31  1  0.41036123  0.40667489  0.70365874  1
  H  H32  1  0.08964110  0.90668065  0.20365569  1
  H  H33  1  0.58964085  0.59332031  0.29634233  1
  H  H34  1  0.20831260  0.33049018  0.96916841  1
  H  H35  1  0.70831300  0.16950841  0.53082835  1
  H  H36  1  0.79168390  0.66951003  0.03083010  1
  H  H37  1  0.29168446  0.83049101  0.46917249  1
  H  H38  1  0.17297064  0.18175491  0.87173195  1
  H  H39  1  0.67297380  0.31824237  0.62826586  1
  H  H40  1  0.82703355  0.81824344  0.12826636  1
  H  H41  1  0.32703055  0.68175852  0.37173588  1
  H  H42  1  0.57935350  0.36798691  0.04282649  1
  H  H43  1  0.07935347  0.13201103  0.45717550  1
  H  H44  1  0.42064682  0.63201383  0.95717368  1
  H  H45  1  0.92064704  0.86798965  0.54282353  1
  H  H46  1  0.73433146  0.44580744  0.00687228  1
  H  H47  1  0.23433282  0.05419224  0.49312908  1
  H  H48  1  0.26566800  0.55419400  0.99312810  1
  H  H49  1  0.76566602  0.94580684  0.50686977  1
  H  H50  1  0.79865475  0.26819460  0.10073301  1
  H  H51  1  0.29865260  0.23180676  0.39926918  1
  H  H52  1  0.20134722  0.73180586  0.89926585  1
  H  H53  1  0.70134980  0.76819360  0.60073196  1
  H  H54  1  0.69530444  0.13632445  0.02124919  1
  H  H55  1  0.19530358  0.36367570  0.47875491  1
  H  H56  1  0.30469682  0.86367694  0.97875104  1
  H  H57  1  0.80469886  0.63632411  0.52124513  1
  H  H58  1  0.80576720  0.32203467  0.79864093  1
  H  H59  1  0.30577038  0.17796154  0.70136032  1
  H  H60  1  0.19423311  0.67796833  0.20136017  1
  H  H61  1  0.69423087  0.82203355  0.29863700  1
  H  H62  1  0.68081403  0.18631751  0.74690909  1
  H  H63  1  0.18081782  0.31367727  0.75309379  1
  H  H64  1  0.31918566  0.81368646  0.25309144  1
  H  H65  1  0.81918350  0.68631634  0.24690561  1
  H  H66  1  0.96850755  0.42948273  0.11040908  1
  H  H67  1  0.46850885  0.07052173  0.38959139  1
  H  H68  1  0.03148986  0.57052345  0.88959548  1
  H  H69  1  0.53148776  0.92947279  0.61040406  1
  H  H70  1  0.97148124  0.37764447  0.92660512  1
  H  H71  1  0.47148327  0.12235576  0.57339801  1
  H  H72  1  0.02851991  0.62235523  0.07339633  1
  H  H73  1  0.52851804  0.87764386  0.42659931  1
  C  C74  1  0.82343834  0.12792749  0.85041525  1
  C  C75  1  0.32343981  0.37206928  0.64958675  1
  C  C76  1  0.17656097  0.87207200  0.14958339  1
  C  C77  1  0.67656086  0.62793056  0.35041469  1
  C  C78  1  0.14132255  0.23499347  0.94898334  1
  C  C79  1  0.64132242  0.26500516  0.55101458  1
  C  C80  1  0.85867943  0.76500429  0.05101416  1
  C  C81  1  0.35868023  0.73499655  0.44898786  1
  C  C82  1  0.67271144  0.34579678  0.99284913  1
  C  C83  1  0.17271165  0.15420185  0.50715298  1
  C  C84  1  0.32728906  0.65420421  0.00715111  1
  C  C85  1  0.82728877  0.84579791  0.49284626  1
  C  C86  1  0.75994444  0.23080746  0.02369342  1
  C  C87  1  0.25994331  0.26919256  0.47630915  1
  C  C88  1  0.24005792  0.76919333  0.97630557  1
  C  C89  1  0.74005969  0.73080733  0.52369184  1
  C  C90  1  0.73508120  0.23989571  0.81657096  1
  C  C91  1  0.23508347  0.26010016  0.68343100  1
  C  C92  1  0.26491956  0.76010612  0.18342952  1
  C  C93  1  0.76491827  0.73989683  0.31656793  1
  C  C94  1  0.99149985  0.28104799  0.95548038  1
  C  C95  1  0.49150010  0.21895084  0.54452005  1
  C  C96  1  0.00850139  0.71895056  0.04451714  1
  C  C97  1  0.50850183  0.78105003  0.45548153  1
  N  N98  1  0.88115516  0.18431258  0.95367067  1
  N  N99  1  0.38115529  0.31568708  0.54633099  1
  N  N100  1  0.11884611  0.81568802  0.04632750  1
  N  N101  1  0.61884683  0.68431206  0.45367073  1
  N  N102  1  0.17628924  0.13686176  0.01325054  1
  N  N103  1  0.67628839  0.36313834  0.48674836  1
  N  N104  1  0.82371009  0.86313835  0.98674944  1
  N  N105  1  0.32371157  0.63686193  0.51325223  1
  N  N106  1  0.62593947  0.30041138  0.88931901  1
  N  N107  1  0.12594056  0.19958497  0.61068355  1
  N  N108  1  0.37406114  0.69958994  0.11068137  1
  N  N109  1  0.87406052  0.80041406  0.38931566  1
  O  O110  1  0.05894331  0.90093808  0.85912169  1
  O  O111  1  0.55895078  0.59906119  0.64087620  1
  O  O112  1  0.94105433  0.09906191  0.14087869  1
  O  O113  1  0.44104790  0.40093849  0.35912439  1
  O  O114  1  0.01387599  0.97308400  0.67712666  1
  O  O115  1  0.51387609  0.52690719  0.82286835  1
  O  O116  1  0.98612332  0.02691850  0.32287449  1
  O  O117  1  0.48612248  0.47309555  0.17713420  1
  O  O118  1  0.88914886  0.40307333  0.61670109  1
  O  O119  1  0.38915196  0.09691818  0.88330067  1
  O  O120  1  0.11085218  0.59692686  0.38330055  1
  O  O121  1  0.61084693  0.90308225  0.11669751  1
  O  O122  1  0.04011975  0.69143948  0.67602588  1
  O  O123  1  0.54012273  0.80855432  0.82397421  1
  O  O124  1  0.95987503  0.30856280  0.32397296  1
  O  O125  1  0.45987768  0.19144728  0.17602604  1
  O  O126  1  0.27511398  0.84935403  0.70735438  1
  O  O127  1  0.77511573  0.65063979  0.79264811  1
  O  O128  1  0.72488365  0.15064480  0.29264680  1
  O  O129  1  0.22488246  0.34935909  0.20735206  1
  O  O130  1  0.03517338  0.48618852  0.83420429  1
  O  O131  1  0.53516797  1.01380678  0.66579600  1
  O  O132  1  0.96482439  0.51381807  0.16580037  1
  O  O133  1  0.46482622  -0.01381225  0.33419904  1
