# generated using pymatgen
data_Mn2FeCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11596381
_cell_length_b   10.13613302
_cell_length_c   12.55220988
_cell_angle_alpha   90.02919252
_cell_angle_beta   89.98302904
_cell_angle_gamma   106.45129097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Co1 H28 C28 N32'
_cell_volume   990.32716390
_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
  Co  Co0  1  0.15630155  0.12490795  0.56028232  1
  Mn  Mn1  1  0.34280046  0.86653230  0.05085277  1
  Mn  Mn2  1  0.84268650  0.86720059  0.44933584  1
  Fe  Fe3  1  0.66130419  0.12598454  0.94173299  1
  H  H4  1  0.11206071  0.44850990  0.58168750  1
  H  H5  1  0.38489196  0.55109942  0.08128585  1
  H  H6  1  0.88540408  0.55168236  0.41855703  1
  H  H7  1  0.61275888  0.45082770  0.91899642  1
  H  H8  1  0.18510000  0.64732192  0.46168742  1
  H  H9  1  0.31279145  0.35060315  0.96061739  1
  H  H10  1  0.81225914  0.35076126  0.53843639  1
  H  H11  1  0.68552473  0.64849133  0.03946172  1
  H  H12  1  0.38770162  0.65208729  0.30612627  1
  H  H13  1  0.11185999  0.34557363  0.80492645  1
  H  H14  1  0.61136740  0.34612052  0.69481738  1
  H  H15  1  0.88991852  0.65316880  0.19461534  1
  H  H16  1  0.49850260  0.44638414  0.27938349  1
  H  H17  1  1.00021172  0.55084529  0.77758027  1
  H  H18  1  0.49985343  0.55087098  0.72205174  1
  H  H19  1  -0.00098266  0.44643507  0.22100646  1
  H  H20  1  0.52604436  0.23072120  0.34839781  1
  H  H21  1  0.97239586  0.76849774  0.84617372  1
  H  H22  1  0.47096338  0.76870699  0.65290433  1
  H  H23  1  0.02456010  0.22830808  0.15193641  1
  H  H24  1  0.49407350  0.00120661  0.37719601  1
  H  H25  1  1.00706636  1.00041505  0.87659250  1
  H  H26  1  0.50625878  1.00014156  0.62269666  1
  H  H27  1  -0.00511003  0.00303395  0.12196871  1
  H  H28  1  0.32973685  0.90043380  0.46208352  1
  H  H29  1  0.17214368  0.09838659  0.96148652  1
  H  H30  1  0.67105161  0.09887793  0.53797428  1
  H  H31  1  0.83124685  0.90029209  0.03868450  1
  C  C32  1  0.19215505  0.44654148  0.51214179  1
  C  C33  1  0.30681954  0.55161397  0.01065642  1
  C  C34  1  0.80690026  0.55205445  0.48904043  1
  C  C35  1  0.69280645  0.44850520  0.98856127  1
  C  C36  1  0.23658911  0.56118509  0.44511882  1
  C  C37  1  0.26186522  0.43700557  0.94382080  1
  C  C38  1  0.76164892  0.43726963  0.55559125  1
  C  C39  1  0.73774397  0.56270489  0.05591154  1
  C  C40  1  0.34799115  0.56367597  0.35921154  1
  C  C41  1  0.15093905  0.43445905  0.85762377  1
  C  C42  1  0.65065138  0.43463582  0.64179421  1
  C  C43  1  0.84944190  0.56471348  0.14160967  1
  C  C44  1  0.41158912  0.45204849  0.34426072  1
  C  C45  1  0.08741067  0.54609698  0.84245540  1
  C  C46  1  0.58704971  0.54624677  0.65709677  1
  C  C47  1  0.91231029  0.45268147  0.15621285  1
  C  C48  1  0.35820945  0.33886635  0.41413658  1
  C  C49  1  0.14062705  0.65967997  0.91171257  1
  C  C50  1  0.64015872  0.65987682  0.58799716  1
  C  C51  1  0.85857478  0.33964961  0.08617878  1
  C  C52  1  0.42064026  0.21996163  0.40513570  1
  C  C53  1  0.07761764  0.77783671  0.90303086  1
  C  C54  1  0.57694041  0.77797195  0.59659493  1
  C  C55  1  0.92010056  0.22076940  0.09498033  1
  C  C56  1  0.43275849  -0.00315868  0.45591345  1
  C  C57  1  0.06760567  1.00281908  0.95526577  1
  C  C58  1  0.56729196  1.00283510  0.54414733  1
  C  C59  1  0.93325888  -0.00246947  0.04336702  1
  N  N60  1  0.24619864  0.33451024  0.49600784  1
  N  N61  1  0.25579358  0.66541651  0.99256392  1
  N  N62  1  0.75548944  0.66567183  0.50717392  1
  N  N63  1  0.74578318  0.33556059  0.00423873  1
  N  N64  1  0.35383185  0.11040387  0.46119820  1
  N  N65  1  0.14408736  0.88743564  0.95996884  1
  N  N66  1  0.64412626  0.88771330  0.53999513  1
  N  N67  1  0.85341729  0.11092074  0.03793478  1
  N  N68  1  0.02869511  0.92025455  0.57879330  1
  N  N69  1  0.47785345  0.08589215  0.06954310  1
  N  N70  1  0.97730235  0.08357239  0.42941100  1
  N  N71  1  0.53137853  0.91971630  0.91985499  1
  N  N72  1  0.09768925  0.83974406  0.61721661  1
  N  N73  1  0.41678906  0.17088236  0.10915923  1
  N  N74  1  0.91751993  0.17015182  0.39175190  1
  N  N75  1  0.59800196  0.83713322  0.88152500  1
  N  N76  1  0.16210727  0.75802072  0.64864850  1
  N  N77  1  0.34960314  0.24784482  0.14566221  1
  N  N78  1  0.85117898  0.24807087  0.35548667  1
  N  N79  1  0.66109851  0.75468887  0.85043359  1
  N  N80  1  0.95513246  0.19243382  0.65476216  1
  N  N81  1  0.53187823  0.80470139  0.14744969  1
  N  N82  1  0.03289858  0.80550125  0.35309428  1
  N  N83  1  0.46116934  0.19502725  0.84413207  1
  N  N84  1  0.87259014  0.15711919  0.73270748  1
  N  N85  1  0.61894244  0.84136193  0.22417539  1
  N  N86  1  0.11901612  0.84281849  0.27608229  1
  N  N87  1  0.37480797  0.15717900  0.76736945  1
  N  N88  1  0.78286764  0.12813101  0.80875685  1
  N  N89  1  0.71087677  0.87874308  0.29745860  1
  N  N90  1  0.20977034  0.87913318  0.20209852  1
  N  N91  1  0.28166864  0.12375532  0.69425482  1
