# generated using pymatgen
data_Mn2FeCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11733817
_cell_length_b   10.13552262
_cell_length_c   12.55608810
_cell_angle_alpha   90.03166995
_cell_angle_beta   89.98658221
_cell_angle_gamma   106.44272129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Co1 H28 C28 N32'
_cell_volume   990.78496243
_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  0.15530651  0.12757066  0.55581298  1
  Fe  Fe1  1  0.33694871  0.87454088  0.05794610  1
  Mn  Mn2  1  0.84000628  0.86832325  0.44663307  1
  Mn  Mn3  1  0.65878311  0.13348915  0.94493226  1
  H  H4  1  0.11284889  0.44946776  0.57998943  1
  H  H5  1  0.38493638  0.54834053  0.08036016  1
  H  H6  1  0.88446621  0.55024598  0.41913531  1
  H  H7  1  0.61367550  0.44944524  0.92040058  1
  H  H8  1  0.18618895  0.64848507  0.46060458  1
  H  H9  1  0.31207825  0.35032434  0.96069959  1
  H  H10  1  0.81148503  0.35040134  0.53919480  1
  H  H11  1  0.68701868  0.64967899  0.04076285  1
  H  H12  1  0.38721246  0.65330981  0.30432409  1
  H  H13  1  0.11133494  0.34625621  0.80372439  1
  H  H14  1  0.61137615  0.34610514  0.69589269  1
  H  H15  1  0.88904242  0.65458462  0.19630129  1
  H  H16  1  0.50190622  0.44939597  0.27868940  1
  H  H17  1  0.99856859  0.55130411  0.77831431  1
  H  H18  1  0.49820845  0.55052442  0.72191034  1
  H  H19  1  0.00320661  0.45063950  0.22162870  1
  H  H20  1  0.52646140  0.23134505  0.34619765  1
  H  H21  1  0.97558589  0.77195376  0.84608749  1
  H  H22  1  0.47234603  0.76817350  0.65476827  1
  H  H23  1  0.02672573  0.23218683  0.15510836  1
  H  H24  1  0.49883935  0.00408558  0.37718644  1
  H  H25  1  1.00141481  0.99469659  0.87780709  1
  H  H26  1  0.49935182  0.99648455  0.62239446  1
  H  H27  1  -0.00068664  0.00438298  0.12312293  1
  H  H28  1  0.32989228  0.90222308  0.45836448  1
  H  H29  1  0.16936112  0.09839427  0.95796683  1
  H  H30  1  0.66794258  0.09747340  0.54124910  1
  H  H31  1  0.83161378  0.90313567  0.04168584  1
  C  C32  1  0.19390649  0.44805193  0.51089677  1
  C  C33  1  0.30475549  0.55047042  0.01086807  1
  C  C34  1  0.80524796  0.55108520  0.48922169  1
  C  C35  1  0.69354482  0.44915460  0.99021853  1
  C  C36  1  0.23822825  0.56269939  0.44397101  1
  C  C37  1  0.26026276  0.43613386  0.94364828  1
  C  C38  1  0.76031871  0.43661185  0.55617234  1
  C  C39  1  0.73878880  0.56369272  0.05716821  1
  C  C40  1  0.34965602  0.56542856  0.35805778  1
  C  C41  1  0.14946070  0.43410984  0.85749739  1
  C  C42  1  0.64952006  0.43415525  0.64237271  1
  C  C43  1  0.85063327  0.56640132  0.14287218  1
  C  C44  1  0.41448762  0.45436820  0.34342312  1
  C  C45  1  0.08570985  0.54569366  0.84300951  1
  C  C46  1  0.58566141  0.54568073  0.65716639  1
  C  C47  1  0.91495719  0.45505510  0.15728396  1
  C  C48  1  0.36137397  0.34113354  0.41321351  1
  C  C49  1  0.13905918  0.65890555  0.91302181  1
  C  C50  1  0.63895445  0.65903237  0.58775988  1
  C  C51  1  0.86087235  0.34157279  0.08803677  1
  C  C52  1  0.42292184  0.22183559  0.40402991  1
  C  C53  1  0.07844895  0.77815557  0.90394709  1
  C  C54  1  0.57626753  0.77722539  0.59701629  1
  C  C55  1  0.92331096  0.22320992  0.09703720  1
  C  C56  1  0.43379395  -0.00162629  0.45476100  1
  C  C57  1  0.06620894  1.00163064  0.95548054  1
  C  C58  1  0.56405429  1.00124576  0.54489905  1
  C  C59  1  0.93552991  -0.00064477  0.04529838  1
  N  N60  1  0.24905319  0.33651544  0.49487987  1
  N  N61  1  0.25149377  0.66310567  0.99514111  1
  N  N62  1  0.75368334  0.66465761  0.50647341  1
  N  N63  1  0.74550956  0.33577311  0.00721017  1
  N  N64  1  0.35606445  0.11264436  0.46045288  1
  N  N65  1  0.14484915  0.88764526  0.96153068  1
  N  N66  1  0.64161145  0.88665103  0.53986719  1
  N  N67  1  0.85801671  0.11410193  0.03946898  1
  N  N68  1  0.02738252  0.91790756  0.57486110  1
  N  N69  1  0.47004691  0.08225508  0.07472691  1
  N  N70  1  0.97611100  0.08413351  0.42704470  1
  N  N71  1  0.52159558  0.91311838  0.93009968  1
  N  N72  1  0.09503591  0.83726937  0.61420871  1
  N  N73  1  0.40579998  0.16503622  0.11518258  1
  N  N74  1  0.91665979  0.17117857  0.39002872  1
  N  N75  1  0.58213300  0.82750754  0.89114211  1
  N  N76  1  0.15678057  0.75497933  0.64776277  1
  N  N77  1  0.34385042  0.24683271  0.14885364  1
  N  N78  1  0.85061302  0.24991054  0.35487458  1
  N  N79  1  0.64930795  0.75057018  0.85455147  1
  N  N80  1  0.97052906  0.19664589  0.64890633  1
  N  N81  1  0.53044811  0.80067832  0.14977877  1
  N  N82  1  0.04531399  0.80707689  0.34366052  1
  N  N83  1  0.46563782  0.19607644  0.84538572  1
  N  N84  1  0.88090528  0.15608511  0.72353710  1
  N  N85  1  0.62097474  0.84193780  0.22420914  1
  N  N86  1  0.13060416  0.84090651  0.26654523  1
  N  N87  1  0.37448598  0.15930331  0.77037077  1
  N  N88  1  0.78407100  0.11666151  0.79464222  1
  N  N89  1  0.71871003  0.88263162  0.29447085  1
  N  N90  1  0.22452365  0.87529462  0.19312655  1
  N  N91  1  0.27882272  0.11748795  0.69947312  1
