# generated using pymatgen
data_MnFe2Co2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35307697
_cell_length_b   9.71942127
_cell_length_c   13.62851366
_cell_angle_alpha   103.60460788
_cell_angle_beta   90.00007529
_cell_angle_gamma   90.00016735
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe2Co2H32C12(NO2)6
_chemical_formula_sum   'Mn2 Fe4 Co4 H64 C24 N12 O24'
_cell_volume   1204.15888996
_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  0.08388045  0.84548266  0.73231499  1
  Co  Co1  1  0.58388849  0.65450993  0.76768810  1
  Co  Co2  1  0.91611605  0.15451867  0.26768568  1
  Co  Co3  1  0.41611037  0.34548424  0.23232437  1
  Fe  Fe4  1  0.92168449  0.53597784  0.72522297  1
  Fe  Fe5  1  0.42166925  0.96400521  0.77476561  1
  Fe  Fe6  1  0.07831505  0.46402287  0.27477865  1
  Fe  Fe7  1  0.57833105  0.03599153  0.22523639  1
  Mn  Mn8  1  -0.00000059  1.00000042  1.00000077  1
  Mn  Mn9  1  0.49996642  0.49996992  0.50001639  1
  H  H10  1  0.19185188  0.19567431  0.08654880  1
  H  H11  1  0.69185459  0.30433123  0.41344970  1
  H  H12  1  0.80814840  0.80432474  0.91345165  1
  H  H13  1  0.30815522  0.69567895  0.58654736  1
  H  H14  1  0.27446517  0.09775403  0.98295985  1
  H  H15  1  0.77446740  0.40225278  0.51703862  1
  H  H16  1  0.72553375  0.90224414  0.01703895  1
  H  H17  1  0.22554054  0.59775855  0.48296363  1
  H  H18  1  0.52844779  0.46863436  0.87231632  1
  H  H19  1  0.02844213  0.03135723  0.62764426  1
  H  H20  1  0.47153683  0.53137126  0.12771347  1
  H  H21  1  0.97155853  0.96864339  0.37235416  1
  H  H22  1  0.51744907  0.22396945  0.89797654  1
  H  H23  1  0.01743808  0.27601253  0.60200974  1
  H  H24  1  0.48255141  0.77603785  0.10201641  1
  H  H25  1  0.98256465  0.72398910  0.39799273  1
  H  H26  1  0.74769728  0.03134015  0.85885842  1
  H  H27  1  0.24768045  0.46865303  0.64114584  1
  H  H28  1  0.25230010  0.96866565  0.14113857  1
  H  H29  1  0.75232501  0.53134698  0.35885889  1
  H  H30  1  0.89167439  0.09030658  0.79554024  1
  H  H31  1  0.39164878  0.40968050  0.70446261  1
  H  H32  1  0.10832977  0.90969306  0.20445599  1
  H  H33  1  0.60835987  0.59031230  0.29553781  1
  H  H34  1  0.20522040  0.32754738  0.96666636  1
  H  H35  1  0.70521734  0.17245230  0.53332761  1
  H  H36  1  0.79477934  0.67244786  0.03333326  1
  H  H37  1  0.29478931  0.82755219  0.46666830  1
  H  H38  1  0.16829362  0.17577190  0.87092882  1
  H  H39  1  0.66830240  0.32423108  0.62907111  1
  H  H40  1  0.83170330  0.82422659  0.12907168  1
  H  H41  1  0.33169875  0.67577114  0.37092457  1
  H  H42  1  0.57736311  0.39053097  0.07092636  1
  H  H43  1  0.07737673  0.10949622  0.42905273  1
  H  H44  1  0.42263489  0.60949105  0.92907834  1
  H  H45  1  0.92262137  0.89050399  0.57094609  1
  H  H46  1  0.73442027  0.43849200  -0.00408296  1
  H  H47  1  0.23437978  0.06147546  0.50403515  1
  H  H48  1  0.26560309  0.56150043  1.00405966  1
  H  H49  1  0.76562023  0.93852515  0.49596302  1
  H  H50  1  0.80486164  0.27391381  0.10248619  1
  H  H51  1  0.30486681  0.22608639  0.39751205  1
  H  H52  1  0.19513230  0.72608432  0.89751154  1
  H  H53  1  0.69513025  0.77391831  0.60248658  1
  H  H54  1  0.69599284  0.13940699  0.03007744  1
  H  H55  1  0.19598415  0.36059310  0.46992039  1
  H  H56  1  0.30400001  0.86060014  0.96991608  1
  H  H57  1  0.80401087  0.63940940  0.53008015  1
  H  H58  1  0.77543896  0.32041217  0.80660043  1
  H  H59  1  0.27541856  0.17957684  0.69339059  1
  H  H60  1  0.22457261  0.67959492  0.19339379  1
  H  H61  1  0.72458527  0.82041606  0.30660536  1
  H  H62  1  0.65818769  0.17892653  0.75201789  1
  H  H63  1  0.15816795  0.32104531  0.74797151  1
  H  H64  1  0.34182001  0.82107710  0.24797575  1
  H  H65  1  0.84183877  0.67894751  0.25202958  1
  H  H66  1  0.97335328  0.42659763  0.10783481  1
  H  H67  1  0.47334631  0.07340268  0.39216445  1
  H  H68  1  0.02664395  0.57340608  0.89216699  1
  H  H69  1  0.52665282  0.92659713  0.60783309  1
  H  H70  1  0.97039340  0.37202211  0.92014589  1
  H  H71  1  0.47038953  0.12798655  0.57985105  1
  H  H72  1  0.02961140  0.62798215  0.07985445  1
  H  H73  1  0.52961437  0.87201341  0.42014244  1
  C  C74  1  0.80910154  0.12494611  0.85271482  1
  C  C75  1  0.30908270  0.37504903  0.64729851  1
  C  C76  1  0.19089999  0.87505953  0.14728719  1
  C  C77  1  0.69092195  0.62494847  0.35270298  1
  C  C78  1  0.13794766  0.23202831  0.94807080  1
  C  C79  1  0.63794054  0.26797632  0.55192616  1
  C  C80  1  0.86205563  0.76796888  0.05192910  1
  C  C81  1  0.36206602  0.73202910  0.44806792  1
  C  C82  1  0.67056005  0.34327005  0.99497514  1
  C  C83  1  0.17056682  0.15672946  0.50501530  1
  C  C84  1  0.32944182  0.65673623  0.00502043  1
  C  C85  1  0.82943376  0.84327385  0.49498468  1
  C  C86  1  0.75993231  0.23282313  0.02741923  1
  C  C87  1  0.25995037  0.26717542  0.47257300  1
  C  C88  1  0.24005709  0.76717668  0.97257296  1
  C  C89  1  0.74004947  0.73282823  0.52742556  1
  C  C90  1  0.71112637  0.23305343  0.82211057  1
  C  C91  1  0.21112250  0.26691927  0.67787418  1
  C  C92  1  0.28887207  0.76694828  0.17788015  1
  C  C93  1  0.78888198  0.73307639  0.32212561  1
  C  C94  1  0.98754131  0.27710023  0.95196002  1
  C  C95  1  0.48754185  0.22290750  0.54804116  1
  C  C96  1  0.01245782  0.72290154  0.04804015  1
  C  C97  1  0.51246436  0.77709000  0.45195143  1
  N  N98  1  0.87607496  0.18331358  0.95306394  1
  N  N99  1  0.37606388  0.31669258  0.54694366  1
  N  N100  1  0.12392681  0.81668947  0.04693560  1
  N  N101  1  0.62393765  0.68331000  0.45305564  1
  N  N102  1  0.17528105  0.13687404  0.01354384  1
  N  N103  1  0.67528711  0.36313327  0.48645170  1
  N  N104  1  0.82471753  0.86312351  0.98645566  1
  N  N105  1  0.32472497  0.63687869  0.51354451  1
  N  N106  1  0.60491426  0.29440517  0.89895518  1
  N  N107  1  0.10490512  0.20559451  0.60103730  1
  N  N108  1  0.39509149  0.70560995  0.10104587  1
  N  N109  1  0.89509726  0.79440540  0.39896267  1
  O  O110  1  0.04466245  0.92368870  0.86409054  1
  O  O111  1  0.54470583  0.57634556  0.63589317  1
  O  O112  1  0.95533639  0.07630963  0.13590979  1
  O  O113  1  0.45524338  0.42361410  0.36413082  1
  O  O114  1  -0.01985718  0.94659814  0.64097801  1
  O  O115  1  0.48013030  0.55341444  0.85902976  1
  O  O116  1  1.01985570  0.05340192  0.35902112  1
  O  O117  1  0.51988879  0.44656289  0.14097907  1
  O  O118  1  0.88546135  0.39062247  0.62103667  1
  O  O119  1  0.38545529  0.10933837  0.87896161  1
  O  O120  1  0.11453941  0.60937920  0.37896552  1
  O  O121  1  0.61453888  0.89065966  0.12103582  1
  O  O122  1  0.03656665  0.66763902  0.67863780  1
  O  O123  1  0.53656866  0.83234553  0.82135206  1
  O  O124  1  0.96342856  0.33236398  0.32136218  1
  O  O125  1  0.46342601  0.16766519  0.17865455  1
  O  O126  1  0.26882603  0.86077822  0.70075836  1
  O  O127  1  0.76883215  0.63920660  0.79923693  1
  O  O128  1  0.73117153  0.13921811  0.29924248  1
  O  O129  1  0.23115915  0.36078186  0.20076790  1
  O  O130  1  0.02626614  0.48964286  0.83615805  1
  O  O131  1  0.52626311  1.01035614  0.66384292  1
  O  O132  1  0.97373509  0.51036238  0.16384298  1
  O  O133  1  0.47373284  -0.01036024  0.33615554  1
