# generated using pymatgen
data_MnFeCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.91882128
_cell_length_b   10.90688357
_cell_length_c   10.94245842
_cell_angle_alpha   89.10895581
_cell_angle_beta   88.92015496
_cell_angle_gamma   63.56182843
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeCoH8C14(NO)6
_chemical_formula_sum   'Mn2 Fe2 Co2 H16 C28 N12 O12'
_cell_volume   1166.60770584
_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  0.90918896  0.09149098  0.25010731  1
  Co  Co1  1  0.09081234  0.90850981  0.74989175  1
  Mn  Mn2  1  0.85029709  1.00206260  -0.00603417  1
  Fe  Fe3  1  0.00153230  0.14563327  0.50788911  1
  Mn  Mn4  1  0.14970293  -0.00206281  1.00603464  1
  Fe  Fe5  1  0.99846291  0.85437152  0.49211085  1
  H  H6  1  0.53995463  0.17276042  0.41493843  1
  H  H7  1  0.82716659  0.46139310  0.09156703  1
  H  H8  1  0.46004971  0.82722950  0.58506496  1
  H  H9  1  0.17283681  0.53860808  0.90842985  1
  H  H10  1  0.33707149  0.16153308  0.51598433  1
  H  H11  1  0.84066260  0.66367636  0.99244377  1
  H  H12  1  0.66292901  0.83846371  0.48401795  1
  H  H13  1  0.15934715  0.33632169  0.00755295  1
  H  H14  1  0.42546846  0.07535861  0.06502348  1
  H  H15  1  0.92427919  0.57293963  0.44288576  1
  H  H16  1  0.57453315  0.92463643  0.93497888  1
  H  H17  1  0.07571102  0.42706629  0.55711436  1
  H  H18  1  0.89277443  0.21903367  0.05601040  1
  H  H19  1  0.78718318  0.11033250  0.45210794  1
  H  H20  1  0.10722440  0.78096789  0.94398881  1
  H  H21  1  0.21281227  0.88967375  0.54788466  1
  C  C22  1  0.62535356  0.11815098  0.17696675  1
  C  C23  1  0.88232851  0.37310888  0.32764252  1
  C  C24  1  0.37464926  0.88184152  0.82303596  1
  C  C25  1  0.11766674  0.62689488  0.67235526  1
  C  C26  1  0.49866532  0.12029579  0.23453222  1
  C  C27  1  0.88069364  0.50057729  0.27226662  1
  C  C28  1  0.50133705  0.87969769  0.76547068  1
  C  C29  1  0.11930354  0.49942581  0.72773155  1
  C  C30  1  0.47092377  0.14783193  0.36127675  1
  C  C31  1  0.85326492  0.52932040  0.14583591  1
  C  C32  1  0.52907888  0.85216106  0.63872594  1
  C  C33  1  0.14673713  0.47068088  0.85416158  1
  C  C34  1  0.35819000  0.14257253  0.41863188  1
  C  C35  1  0.85980569  0.64173100  0.08952414  1
  C  C36  1  0.64181052  0.85742394  0.58137032  1
  C  C37  1  0.14020055  0.35826829  0.91047322  1
  C  C38  1  0.27271991  0.10932922  0.34702519  1
  C  C39  1  0.89367696  0.72630979  0.16224211  1
  C  C40  1  0.72727846  0.89067089  0.65297648  1
  C  C41  1  0.10632901  0.27368882  0.83775617  1
  C  C42  1  0.29965433  0.08261308  0.22165306  1
  C  C43  1  0.91780061  0.69997595  0.28777430  1
  C  C44  1  0.70034471  0.91738603  0.77834864  1
  C  C45  1  0.08219854  0.30002602  0.71222536  1
  C  C46  1  0.40986806  0.09174223  0.16287364  1
  C  C47  1  0.90890872  0.58907847  0.34500786  1
  C  C48  1  0.59013278  0.90825337  0.83712867  1
  C  C49  1  0.09108638  0.41092538  0.65499165  1
  N  N50  1  0.15998060  0.08780170  0.37466333  1
  N  N51  1  0.91516487  0.83818667  0.13388130  1
  N  N52  1  0.84001463  0.91220300  0.62533687  1
  N  N53  1  0.08484683  0.16180865  0.86611687  1
  N  N54  1  0.12429069  0.04409867  0.27352719  1
  N  N55  1  0.95242869  0.87881946  0.23426693  1
  N  N56  1  0.87570265  0.95590971  0.72647221  1
  N  N57  1  0.04757684  0.12117889  0.76573285  1
  N  N58  1  0.20505234  0.04264680  0.18053110  1
  N  N59  1  0.95328718  0.79845255  0.32959445  1
  N  N60  1  0.79494378  0.95735700  0.81946960  1
  N  N61  1  0.04671262  0.20154859  0.67040575  1
  O  O62  1  0.93653227  0.11988526  0.06615035  1
  O  O63  1  0.88538008  0.06550067  0.43650424  1
  O  O64  1  0.06346710  0.88011634  0.93384772  1
  O  O65  1  0.11461652  0.93450377  0.56349494  1
  O  O66  1  0.70091583  0.14679913  0.24605446  1
  O  O67  1  0.85220238  0.29987181  0.25673217  1
  O  O68  1  0.29908657  0.85319479  0.75394741  1
  O  O69  1  0.14779261  0.70013231  0.74326571  1
  O  O70  1  0.64923903  0.08503700  0.06414616  1
  O  O71  1  0.91594905  0.34645806  0.43982822  1
  O  O72  1  0.35076392  0.91495393  0.93585705  1
  O  O73  1  0.08404530  0.65354583  0.56016999  1
