# generated using pymatgen
data_Mn2CrFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11838635
_cell_length_b   10.13680284
_cell_length_c   12.55679438
_cell_angle_alpha   90.04283834
_cell_angle_beta   89.96962441
_cell_angle_gamma   106.44960607
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrFeH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Fe1 H28 C28 N32'
_cell_volume   991.05847832
_cell_formula_units_Z   1
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  0.16243327  0.13240146  0.55239309  1
  Cr  Cr1  1  0.34834231  0.87252796  0.05361481  1
  Mn  Mn2  1  0.84027036  0.86749139  0.44883054  1
  Fe  Fe3  1  0.66593535  0.12933369  0.94334553  1
  H  H4  1  0.11403656  0.44895886  0.58040697  1
  H  H5  1  0.38603821  0.55005437  0.08216397  1
  H  H6  1  0.88421067  0.55047336  0.41866470  1
  H  H7  1  0.61267598  0.44971225  0.91957341  1
  H  H8  1  0.18671411  0.64892482  0.46025724  1
  H  H9  1  0.31364412  0.35218152  0.96163251  1
  H  H10  1  0.81172619  0.35061503  0.53899966  1
  H  H11  1  0.68558250  0.64840540  0.03942125  1
  H  H12  1  0.38844659  0.65457768  0.30502034  1
  H  H13  1  0.11364622  0.34857833  0.80485661  1
  H  H14  1  0.61152521  0.34610400  0.69546110  1
  H  H15  1  0.88831503  0.65379618  0.19469006  1
  H  H16  1  0.50209273  0.45001785  0.27825757  1
  H  H17  1  1.00027608  0.55232757  0.77931961  1
  H  H18  1  0.49862826  0.55036763  0.72193297  1
  H  H19  1  0.00090757  0.44890534  0.22102360  1
  H  H20  1  0.52926976  0.23224632  0.34584337  1
  H  H21  1  0.97420887  0.77111455  0.84688858  1
  H  H22  1  0.47134318  0.76887186  0.65388292  1
  H  H23  1  0.02539882  0.22877082  0.15304383  1
  H  H24  1  0.49970409  0.00290163  0.37705769  1
  H  H25  1  1.00396176  0.99818892  0.87686412  1
  H  H26  1  0.50132919  0.99746334  0.62208191  1
  H  H27  1  -0.00219363  0.00500715  0.12201925  1
  H  H28  1  0.33071746  0.90241103  0.45870190  1
  H  H29  1  0.16929039  0.10099036  0.95952106  1
  H  H30  1  0.67027235  0.09759462  0.54049255  1
  H  H31  1  0.83311420  0.90101116  0.04023096  1
  C  C32  1  0.19367896  0.44840892  0.51049973  1
  C  C33  1  0.30616147  0.55237844  0.01257839  1
  C  C34  1  0.80540023  0.55134446  0.48891925  1
  C  C35  1  0.69279652  0.44803191  0.98910885  1
  C  C36  1  0.23838704  0.56290567  0.44363985  1
  C  C37  1  0.26193748  0.43830210  0.94529296  1
  C  C38  1  0.76065168  0.43689105  0.55579772  1
  C  C39  1  0.73744719  0.56246583  0.05605621  1
  C  C40  1  0.34993726  0.56584014  0.35774975  1
  C  C41  1  0.15127500  0.43608873  0.85899412  1
  C  C42  1  0.65001809  0.43433904  0.64214486  1
  C  C43  1  0.84932566  0.56525326  0.14176860  1
  C  C44  1  0.41434853  0.45461985  0.34287729  1
  C  C45  1  0.08681217  0.54730798  0.84451395  1
  C  C46  1  0.58589941  0.54572884  0.65705210  1
  C  C47  1  0.91338747  0.45390263  0.15644528  1
  C  C48  1  0.36122848  0.34107103  0.41209793  1
  C  C49  1  0.13929262  0.66057582  0.91427480  1
  C  C50  1  0.63879779  0.65910087  0.58772967  1
  C  C51  1  0.85980053  0.34036815  0.08698460  1
  C  C52  1  0.42441027  0.22311201  0.40292246  1
  C  C53  1  0.07827373  0.77951845  0.90440765  1
  C  C54  1  0.57599717  0.77710074  0.59680621  1
  C  C55  1  0.92142980  0.22183966  0.09593409  1
  C  C56  1  0.43519167  -0.00170345  0.45463661  1
  C  C57  1  0.06704545  1.00381347  0.95494540  1
  C  C58  1  0.56585239  1.00170595  0.54452874  1
  C  C59  1  0.93444270  -0.00135252  0.04395844  1
  N  N60  1  0.24636492  0.33524320  0.49338455  1
  N  N61  1  0.25279048  0.66550095  0.99644990  1
  N  N62  1  0.75376975  0.66496877  0.50643427  1
  N  N63  1  0.74588022  0.33515801  0.00553167  1
  N  N64  1  0.35795477  0.11287861  0.45906862  1
  N  N65  1  0.14677684  0.89021343  0.96028972  1
  N  N66  1  0.64292077  0.88690570  0.54016103  1
  N  N67  1  0.85396854  0.11169547  0.03910833  1
  N  N68  1  0.03427375  0.91530628  0.57469622  1
  N  N69  1  0.47486400  0.07892608  0.07244830  1
  N  N70  1  0.96548361  0.08368443  0.42678838  1
  N  N71  1  0.51494971  0.91134565  0.92910606  1
  N  N72  1  0.09445299  0.83098665  0.61550242  1
  N  N73  1  0.41349408  0.16411466  0.11204298  1
  N  N74  1  0.90544484  0.16759478  0.38517892  1
  N  N75  1  0.58323577  0.83165089  0.88751833  1
  N  N76  1  0.15655402  0.74961658  0.64999443  1
  N  N77  1  0.34868595  0.24391104  0.14564295  1
  N  N78  1  0.84424535  0.24918686  0.35011518  1
  N  N79  1  0.65405105  0.75637468  0.85282442  1
  N  N80  1  0.95412694  0.19446693  0.65867932  1
  N  N81  1  0.53404509  0.80778587  0.14525792  1
  N  N82  1  0.04432936  0.80695808  0.34380316  1
  N  N83  1  0.46908468  0.19698349  0.85313731  1
  N  N84  1  0.86821481  0.15827382  0.73506218  1
  N  N85  1  0.62150300  0.84482848  0.22204529  1
  N  N86  1  0.12932907  0.84120891  0.26692320  1
  N  N87  1  0.38131361  0.15673534  0.77721612  1
  N  N88  1  0.77361576  0.12344341  0.80820844  1
  N  N89  1  0.71232393  0.87521499  0.29619066  1
  N  N90  1  0.21226711  0.86484857  0.18817605  1
  N  N91  1  0.28860172  0.12272020  0.70386733  1
