# generated using pymatgen
data_Mn2FeCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11725237
_cell_length_b   10.13573310
_cell_length_c   12.55571007
_cell_angle_alpha   90.04136302
_cell_angle_beta   89.96703941
_cell_angle_gamma   106.44113170
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Co1 H28 C28 N32'
_cell_volume   990.77316912
_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  0.15848328  0.13375624  0.55550746  1
  Fe  Fe1  1  0.33810348  0.87617647  0.05668791  1
  Mn  Mn2  1  0.84027012  0.86732800  0.44563640  1
  Co  Co3  1  0.65871405  0.13007471  0.94209162  1
  H  H4  1  0.11389603  0.44951856  0.58014807  1
  H  H5  1  0.38527574  0.54873168  0.08038652  1
  H  H6  1  0.88386424  0.54973927  0.41901067  1
  H  H7  1  0.61268693  0.44905508  0.92008385  1
  H  H8  1  0.18707921  0.64972052  0.45960412  1
  H  H9  1  0.31176028  0.35018604  0.96130249  1
  H  H10  1  0.81146404  0.35003580  0.53954738  1
  H  H11  1  0.68599740  0.64885347  0.03985712  1
  H  H12  1  0.38797105  0.65393163  0.30363905  1
  H  H13  1  0.11128458  0.34623683  0.80410177  1
  H  H14  1  0.61158972  0.34600514  0.69616347  1
  H  H15  1  0.88809908  0.65387661  0.19543078  1
  H  H16  1  0.50207748  0.45005225  0.27814068  1
  H  H17  1  0.99866121  0.55125911  0.77858013  1
  H  H18  1  0.49868677  0.55054497  0.72231799  1
  H  H19  1  0.00226230  0.44958291  0.22111689  1
  H  H20  1  0.52678601  0.23194093  0.34488587  1
  H  H21  1  0.97449293  0.77117598  0.84670013  1
  H  H22  1  0.47301860  0.76837573  0.65535439  1
  H  H23  1  0.02639615  0.23147179  0.15381260  1
  H  H24  1  0.50002539  0.00388928  0.37721192  1
  H  H25  1  1.00156969  0.99507982  0.87772183  1
  H  H26  1  0.50005184  0.99676912  0.62234573  1
  H  H27  1  -0.00268359  0.00380669  0.12302690  1
  H  H28  1  0.33089830  0.90329157  0.45808607  1
  H  H29  1  0.16826387  0.09848238  0.95880936  1
  H  H30  1  0.66959727  0.09693981  0.54141762  1
  H  H31  1  0.83010227  0.90239375  0.04077507  1
  C  C32  1  0.19389983  0.44924543  0.51035568  1
  C  C33  1  0.30521559  0.55079984  0.01084567  1
  C  C34  1  0.80468268  0.55051520  0.48912374  1
  C  C35  1  0.69360736  0.44815238  0.98931657  1
  C  C36  1  0.23881085  0.56364947  0.44330564  1
  C  C37  1  0.26052277  0.43624781  0.94389441  1
  C  C38  1  0.76019923  0.43623334  0.55629605  1
  C  C39  1  0.73787902  0.56288326  0.05623722  1
  C  C40  1  0.35006549  0.56605120  0.35731113  1
  C  C41  1  0.14964480  0.43415280  0.85786891  1
  C  C42  1  0.64967662  0.43403676  0.64264677  1
  C  C43  1  0.84968339  0.56570506  0.14192146  1
  C  C44  1  0.41435238  0.45466199  0.34278075  1
  C  C45  1  0.08602513  0.54576295  0.84319294  1
  C  C46  1  0.58580222  0.54557439  0.65742041  1
  C  C47  1  0.91442400  0.45460857  0.15667304  1
  C  C48  1  0.36099468  0.34144688  0.41224569  1
  C  C49  1  0.13947321  0.65910654  0.91303540  1
  C  C50  1  0.63860627  0.65866129  0.58774186  1
  C  C51  1  0.86117513  0.34115287  0.08708484  1
  C  C52  1  0.42338728  0.22303984  0.40301443  1
  C  C53  1  0.07818763  0.77812645  0.90412556  1
  C  C54  1  0.57623493  0.77706398  0.59714062  1
  C  C55  1  0.92292348  0.22191611  0.09593752  1
  C  C56  1  0.43513939  -0.00066992  0.45468770  1
  C  C57  1  0.06553677  1.00154800  0.95558226  1
  C  C58  1  0.56499181  1.00113548  0.54492755  1
  C  C59  1  0.93402190  -0.00149450  0.04494860  1
  N  N60  1  0.24651217  0.33602433  0.49364070  1
  N  N61  1  0.25216462  0.66341152  0.99488825  1
  N  N62  1  0.75267750  0.66398931  0.50607558  1
  N  N63  1  0.74878845  0.33659323  0.00550451  1
  N  N64  1  0.35795547  0.11413613  0.46069026  1
  N  N65  1  0.14452105  0.88781631  0.96133881  1
  N  N66  1  0.64150566  0.88605267  0.53950533  1
  N  N67  1  0.85658438  0.11299709  0.03898791  1
  N  N68  1  0.03208523  0.91501470  0.57358947  1
  N  N69  1  0.47748873  0.08135662  0.07414123  1
  N  N70  1  0.96721414  0.08502898  0.42678731  1
  N  N71  1  0.51694622  0.91451377  0.93043277  1
  N  N72  1  0.09252282  0.83081857  0.61435393  1
  N  N73  1  0.41553239  0.16746789  0.11103506  1
  N  N74  1  0.90722967  0.16917854  0.38554326  1
  N  N75  1  0.58473490  0.83370588  0.89109469  1
  N  N76  1  0.15446908  0.74937504  0.64895271  1
  N  N77  1  0.34864723  0.24648592  0.14460485  1
  N  N78  1  0.84519347  0.25030075  0.35046576  1
  N  N79  1  0.65300906  0.75682706  0.85529664  1
  N  N80  1  0.96526626  0.19754940  0.65746449  1
  N  N81  1  0.53197171  0.80131746  0.14877225  1
  N  N82  1  0.04282590  0.80538855  0.34233540  1
  N  N83  1  0.47091103  0.19622353  0.85215330  1
  N  N84  1  0.87226486  0.15837009  0.73122288  1
  N  N85  1  0.62125516  0.84212703  0.22370641  1
  N  N86  1  0.13049833  0.84192201  0.26647175  1
  N  N87  1  0.38200792  0.15701780  0.77702920  1
  N  N88  1  0.77528603  0.11176728  0.80074059  1
  N  N89  1  0.71688764  0.88033564  0.29534994  1
  N  N90  1  0.22605754  0.87854413  0.19407642  1
  N  N91  1  0.28708274  0.12076341  0.70459687  1
