# generated using pymatgen
data_Mn2Co3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36007948
_cell_length_b   9.71385243
_cell_length_c   13.65560196
_cell_angle_alpha   103.44817355
_cell_angle_beta   90.00000775
_cell_angle_gamma   90.00011610
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Co3H32C12(NO2)6
_chemical_formula_sum   'Mn4 Co6 H64 C24 N12 O24'
_cell_volume   1207.55668681
_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  0.09268021  0.85738021  0.73115255  1
  Mn  Mn1  1  0.59276127  0.64264638  0.76882123  1
  Mn  Mn2  1  0.90723096  0.14263871  0.26881878  1
  Mn  Mn3  1  0.40730388  0.35740068  0.23115564  1
  Co  Co4  1  0.93712079  0.55716361  0.72890731  1
  Co  Co5  1  0.43712145  0.94284239  0.77115272  1
  Co  Co6  1  0.06286315  0.44284704  0.27113837  1
  Co  Co7  1  0.56287256  0.05717502  0.22891590  1
  Co  Co8  1  0.00076335  0.99924202  1.00044579  1
  Co  Co9  1  0.49925331  0.49923865  0.50045928  1
  H  H10  1  0.18762245  0.19032455  0.08864753  1
  H  H11  1  0.68723741  0.30990190  0.41148232  1
  H  H12  1  0.81277925  0.80991069  0.91147447  1
  H  H13  1  0.31239594  0.69031362  0.58865565  1
  H  H14  1  0.27526023  0.09417322  0.98935395  1
  H  H15  1  0.77485107  0.40618105  0.51087235  1
  H  H16  1  0.72515795  0.90619217  0.01086156  1
  H  H17  1  0.22474702  0.59415769  0.48936012  1
  H  H18  1  0.58092081  0.38153848  0.86987968  1
  H  H19  1  0.08103784  0.11852637  0.63006672  1
  H  H20  1  0.41897160  0.61854042  0.13006759  1
  H  H21  1  0.91908341  0.88153602  0.36987766  1
  H  H22  1  0.47112459  0.16578698  0.88352109  1
  H  H23  1  -0.02885937  0.33430054  0.61646372  1
  H  H24  1  0.52886249  0.83431780  0.11645737  1
  H  H25  1  1.02887888  0.66577957  0.38352691  1
  H  H26  1  0.75760528  0.03136832  0.85545396  1
  H  H27  1  0.25766579  0.46871270  0.64455239  1
  H  H28  1  0.24233704  0.96872134  0.14455350  1
  H  H29  1  0.74239402  0.53136246  0.35544804  1
  H  H30  1  0.91004813  0.08794373  0.79857203  1
  H  H31  1  0.41016182  0.41213572  0.70138022  1
  H  H32  1  0.08984284  0.91214376  0.20138031  1
  H  H33  1  0.58994857  0.58794560  0.29857185  1
  H  H34  1  0.20873668  0.32718222  0.96895061  1
  H  H35  1  0.70881622  0.17263163  0.53105574  1
  H  H36  1  0.79118423  0.67263520  0.03105023  1
  H  H37  1  0.29127106  0.82718579  0.46896617  1
  H  H38  1  0.16566037  0.17788303  0.87234150  1
  H  H39  1  0.66570811  0.32180560  0.62774840  1
  H  H40  1  0.83428265  0.82180823  0.12774359  1
  H  H41  1  0.33432200  0.67788673  0.37235086  1
  H  H42  1  0.58357723  0.36767078  0.04602771  1
  H  H43  1  0.08369373  0.13241982  0.45390844  1
  H  H44  1  0.41630766  0.63242399  0.95390801  1
  H  H45  1  0.91642911  0.86767122  0.54602586  1
  H  H46  1  0.73973676  0.44083115  0.00700452  1
  H  H47  1  0.23977782  0.05917468  0.49293552  1
  H  H48  1  0.26022124  0.55918214  0.99294005  1
  H  H49  1  0.76026867  0.94082607  0.50700341  1
  H  H50  1  0.80057983  0.26526079  0.10332370  1
  H  H51  1  0.30071881  0.23470866  0.39659869  1
  H  H52  1  0.19928114  0.73470587  0.89659974  1
  H  H53  1  0.69942725  0.76525915  0.60332258  1
  H  H54  1  0.69515091  0.13373994  0.02568065  1
  H  H55  1  0.19514052  0.36622315  0.47411646  1
  H  H56  1  0.30486191  0.86622710  0.97410945  1
  H  H57  1  0.80485471  0.63373645  0.52568444  1
  H  H58  1  0.80734648  0.31893458  0.80143928  1
  H  H59  1  0.30748320  0.18110909  0.69851892  1
  H  H60  1  0.19252015  0.68111272  0.19851598  1
  H  H61  1  0.69265296  0.81893627  0.30144390  1
  H  H62  1  0.68427791  0.18348009  0.74935731  1
  H  H63  1  0.18438984  0.31659680  0.75056819  1
  H  H64  1  0.31561322  0.81660640  0.25056776  1
  H  H65  1  0.81572228  0.68347933  0.24935620  1
  H  H66  1  0.97650497  0.41993928  0.10962734  1
  H  H67  1  0.47650166  0.07996326  0.39042109  1
  H  H68  1  0.02348244  0.57997846  0.89041358  1
  H  H69  1  0.52347080  0.91994548  0.60963654  1
  H  H70  1  0.96589046  0.37421702  0.93234661  1
  H  H71  1  0.46566512  0.12584239  0.56769648  1
  H  H72  1  0.03433930  0.62585443  0.06770408  1
  H  H73  1  0.53410704  0.87420342  0.43234378  1
  C  C74  1  0.82397025  0.12326988  0.85314463  1
  C  C75  1  0.32407765  0.37682665  0.64678846  1
  C  C76  1  0.17592669  0.87683358  0.14678762  1
  C  C77  1  0.67603295  0.62326576  0.35314421  1
  C  C78  1  0.14085861  0.23219310  0.95076944  1
  C  C79  1  0.64086511  0.26759886  0.54928334  1
  C  C80  1  0.85913500  0.76760433  0.04927993  1
  C  C81  1  0.35913887  0.73218778  0.45077635  1
  C  C82  1  0.67592335  0.34242275  0.99519242  1
  C  C83  1  0.17603938  0.15763492  0.50474423  1
  C  C84  1  0.32396225  0.65764151  0.00474425  1
  C  C85  1  0.82408213  0.84241851  0.49519128  1
  C  C86  1  0.76118058  0.22671050  0.02668054  1
  C  C87  1  0.26125333  0.27334998  0.47321530  1
  C  C88  1  0.23874809  0.77335549  0.97321479  1
  C  C89  1  0.73882500  0.72670504  0.52667884  1
  C  C90  1  0.73725561  0.23654618  0.81956588  1
  C  C91  1  0.23740309  0.26349888  0.68037472  1
  C  C92  1  0.26260113  0.76350561  0.18037477  1
  C  C93  1  0.76274363  0.73654539  0.31956590  1
  C  C94  1  0.99086052  0.27686446  0.95835048  1
  C  C95  1  0.49088707  0.22298708  0.54160973  1
  C  C96  1  0.00911202  0.72299506  0.04161359  1
  C  C97  1  0.50913556  0.77685424  0.45834800  1
  N  N98  1  0.88281349  0.17663401  0.95694329  1
  N  N99  1  0.38293804  0.32351889  0.54297101  1
  N  N100  1  0.11706205  0.82352883  0.04297062  1
  N  N101  1  0.61718873  0.67662554  0.45694251  1
  N  N102  1  0.17644321  0.13455717  0.01488599  1
  N  N103  1  0.67621805  0.36542812  0.48530202  1
  N  N104  1  0.82379064  0.86543316  0.98529533  1
  N  N105  1  0.32356181  0.63455006  0.51489242  1
  N  N106  1  0.62723203  0.29668662  0.89194219  1
  N  N107  1  0.12735956  0.20337656  0.60800252  1
  N  N108  1  0.37264584  0.70338729  0.10800184  1
  N  N109  1  0.87277139  0.79668391  0.39194075  1
  O  O110  1  0.05412745  0.89796664  0.85630500  1
  O  O111  1  0.55451513  0.60221048  0.64356944  1
  O  O112  1  0.94546516  0.10220611  0.14356732  1
  O  O113  1  0.44584392  0.39798462  0.35630691  1
  O  O114  1  0.01635366  0.97158774  0.67157076  1
  O  O115  1  0.51618997  0.52825229  0.82812631  1
  O  O116  1  0.98381679  0.02824620  0.32811703  1
  O  O117  1  0.48365628  0.47159563  0.17157508  1
  O  O118  1  0.89210819  0.40464974  0.62630123  1
  O  O119  1  0.39213559  0.09539461  0.87376027  1
  O  O120  1  0.10785998  0.59537934  0.37375890  1
  O  O121  1  0.60789187  0.90467156  0.12629946  1
  O  O122  1  0.03892827  0.68490583  0.67306563  1
  O  O123  1  0.53898383  0.81513027  0.82697320  1
  O  O124  1  0.96102566  0.31511990  0.32695915  1
  O  O125  1  0.46106411  0.18492446  0.17308424  1
  O  O126  1  0.27703547  0.84282598  0.70930013  1
  O  O127  1  0.77710851  0.65712310  0.79086030  1
  O  O128  1  0.72288947  0.15712225  0.29087869  1
  O  O129  1  0.22295896  0.34284808  0.20927768  1
  O  O130  1  0.03110142  0.49854067  0.83285916  1
  O  O131  1  0.53094986  1.00144949  0.66715193  1
  O  O132  1  0.96903339  0.50144678  0.16713934  1
  O  O133  1  0.46888639  -0.00146703  0.33286112  1
