# generated using pymatgen
data_Mn2CoNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11808656
_cell_length_b   10.13375115
_cell_length_c   12.55960141
_cell_angle_alpha   90.02638816
_cell_angle_beta   89.99561137
_cell_angle_gamma   106.43339390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Co1 Ni1 H28 C28 N32'
_cell_volume   991.02798040
_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  0.15417171  0.12877987  0.55316186  1
  Mn  Mn1  1  0.34012547  0.86546985  0.05667923  1
  Ni  Ni2  1  0.83980016  0.86612180  0.44612362  1
  Mn  Mn3  1  0.65961525  0.13400340  0.94401203  1
  H  H4  1  0.11248754  0.44956169  0.57873932  1
  H  H5  1  0.38415498  0.54920269  0.07917928  1
  H  H6  1  0.88553944  0.54989266  0.42020145  1
  H  H7  1  0.61394826  0.44979480  0.92199974  1
  H  H8  1  0.18647445  0.64885939  0.46040035  1
  H  H9  1  0.31086525  0.34913760  0.95945958  1
  H  H10  1  0.81200151  0.35094378  0.53866803  1
  H  H11  1  0.68769285  0.65039338  0.04143174  1
  H  H12  1  0.38941567  0.65403539  0.30405496  1
  H  H13  1  0.11073310  0.34531244  0.80250255  1
  H  H14  1  0.61139721  0.34680171  0.69607046  1
  H  H15  1  0.88984657  0.65526911  0.19754039  1
  H  H16  1  0.50448304  0.45039972  0.27865047  1
  H  H17  1  0.99602251  0.54908690  0.77738160  1
  H  H18  1  0.49697181  0.55073345  0.72145716  1
  H  H19  1  0.00538758  0.45194916  0.22238922  1
  H  H20  1  0.52640795  0.23161411  0.34430788  1
  H  H21  1  0.97462771  0.76905445  0.84246455  1
  H  H22  1  0.47361461  0.76865833  0.65568141  1
  H  H23  1  0.02632692  0.23162914  0.15782225  1
  H  H24  1  0.50263077  0.00786899  0.37692761  1
  H  H25  1  0.99723142  0.99328296  0.87772489  1
  H  H26  1  0.49804469  0.99300781  0.62201142  1
  H  H27  1  0.00365651  0.00727034  0.12308738  1
  H  H28  1  0.33318389  0.90347865  0.45567003  1
  H  H29  1  0.16794465  0.09537971  0.95596828  1
  H  H30  1  0.66783683  0.09666666  0.54277849  1
  H  H31  1  0.83297107  0.90487120  0.04494194  1
  C  C32  1  0.19444311  0.44817087  0.50998912  1
  C  C33  1  0.30292533  0.54951066  0.00995297  1
  C  C34  1  0.80380358  0.55182916  0.48885867  1
  C  C35  1  0.69597908  0.45004730  0.99095313  1
  C  C36  1  0.23884875  0.56315470  0.44340610  1
  C  C37  1  0.25850450  0.43496267  0.94289584  1
  C  C38  1  0.76006404  0.43695065  0.55578996  1
  C  C39  1  0.74065468  0.56485241  0.05778050  1
  C  C40  1  0.35113972  0.56618134  0.35787098  1
  C  C41  1  0.14746211  0.43270984  0.85683159  1
  C  C42  1  0.64894379  0.43419662  0.64178068  1
  C  C43  1  0.85267287  0.56765682  0.14338839  1
  C  C44  1  0.41657140  0.45545157  0.34319096  1
  C  C45  1  0.08280914  0.54395433  0.84248581  1
  C  C46  1  0.58397203  0.54520063  0.65644829  1
  C  C47  1  0.91778127  0.45663295  0.15763906  1
  C  C48  1  0.36310155  0.34199673  0.41264187  1
  C  C49  1  0.13585651  0.65719478  0.91221652  1
  C  C50  1  0.63635905  0.65837674  0.58659246  1
  C  C51  1  0.86438694  0.34306182  0.08821722  1
  C  C52  1  0.42434741  0.22263109  0.40311948  1
  C  C53  1  0.07516970  0.77637901  0.90225148  1
  C  C54  1  0.57526432  0.77779966  0.59662459  1
  C  C55  1  0.92548196  0.22402494  0.09816690  1
  C  C56  1  0.43618339  0.00015529  0.45402843  1
  C  C57  1  0.06381637  0.99934357  0.95471018  1
  C  C58  1  0.56456082  1.00031602  0.54494693  1
  C  C59  1  0.93701086  0.00098024  0.04612462  1
  N  N60  1  0.25023110  0.33682582  0.49395479  1
  N  N61  1  0.24936076  0.66240196  0.99393048  1
  N  N62  1  0.74774940  0.66326000  0.50440243  1
  N  N63  1  0.75023292  0.33750076  0.00683781  1
  N  N64  1  0.35851292  0.11422355  0.46057954  1
  N  N65  1  0.14013986  0.88414857  0.96141455  1
  N  N66  1  0.64134208  0.88582970  0.53909811  1
  N  N67  1  0.86043669  0.11601555  0.03931882  1
  N  N68  1  0.02714893  0.91902888  0.57487804  1
  N  N69  1  0.46951448  0.08602059  0.07360131  1
  N  N70  1  0.97444762  0.08161853  0.42648469  1
  N  N71  1  0.53062451  0.91385824  0.92731649  1
  N  N72  1  0.09034252  0.83469444  0.61198932  1
  N  N73  1  0.41003945  0.17093630  0.11417428  1
  N  N74  1  0.91355474  0.16784727  0.39001572  1
  N  N75  1  0.58982763  0.82882043  0.88665105  1
  N  N76  1  0.14983236  0.75075699  0.64549393  1
  N  N77  1  0.34833307  0.25289392  0.14822215  1
  N  N78  1  0.85068153  0.24858447  0.35439306  1
  N  N79  1  0.65134222  0.74694177  0.85221276  1
  N  N80  1  0.97187476  0.19874736  0.64865988  1
  N  N81  1  0.53057359  0.79933028  0.15430724  1
  N  N82  1  0.03061170  0.79923176  0.35099885  1
  N  N83  1  0.46782305  0.20021129  0.84534931  1
  N  N84  1  0.87968898  0.15829134  0.72217678  1
  N  N85  1  0.62554550  0.83830132  0.22745566  1
  N  N86  1  0.12142229  0.84148695  0.27720189  1
  N  N87  1  0.37344772  0.16068190  0.77199189  1
  N  N88  1  0.78078948  0.11557475  0.79174724  1
  N  N89  1  0.72572333  0.88464133  0.29531234  1
  N  N90  1  0.22047721  0.88550647  0.20778617  1
  N  N91  1  0.27460890  0.11355024  0.70366430  1
