# generated using pymatgen
data_Mn2CoNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11777200
_cell_length_b   10.13380278
_cell_length_c   12.55850893
_cell_angle_alpha   90.03423931
_cell_angle_beta   89.98934589
_cell_angle_gamma   106.43663320
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Co1 Ni1 H28 C28 N32'
_cell_volume   990.89183204
_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  0.15864622  0.13260710  0.56001460  1
  Mn  Mn1  1  0.34399680  0.86925865  0.05301229  1
  Mn  Mn2  1  0.84351454  0.86859551  0.44687067  1
  Ni  Ni3  1  0.66051843  0.13296115  0.94346323  1
  H  H4  1  0.11258872  0.44918311  0.57924712  1
  H  H5  1  0.38401644  0.54948171  0.07930110  1
  H  H6  1  0.88390266  0.54980827  0.42020443  1
  H  H7  1  0.61256000  0.44908255  0.92140001  1
  H  H8  1  0.18661677  0.64912602  0.46019691  1
  H  H9  1  0.31066379  0.34884980  0.95929426  1
  H  H10  1  0.81101463  0.34936926  0.54020001  1
  H  H11  1  0.68697051  0.64880770  0.03990160  1
  H  H12  1  0.38804089  0.65323972  0.30373603  1
  H  H13  1  0.10913290  0.34475834  0.80330475  1
  H  H14  1  0.61127319  0.34583463  0.69705555  1
  H  H15  1  0.88912259  0.65366217  0.19606273  1
  H  H16  1  0.50325196  0.44954858  0.27870080  1
  H  H17  1  0.99591904  0.54899043  0.77789534  1
  H  H18  1  0.49670133  0.54949949  0.72219000  1
  H  H19  1  0.00382125  0.44977192  0.22103590  1
  H  H20  1  0.52565071  0.23113753  0.34444132  1
  H  H21  1  0.97346173  0.76847964  0.84280815  1
  H  H22  1  0.47286326  0.76861329  0.65673237  1
  H  H23  1  0.02623260  0.23115345  0.15599886  1
  H  H24  1  0.50197484  0.00716304  0.37747745  1
  H  H25  1  0.99741627  0.99472605  0.87691133  1
  H  H26  1  0.49722068  0.99455419  0.62289633  1
  H  H27  1  0.00178208  0.00714715  0.12241327  1
  H  H28  1  0.33257013  0.90365905  0.45631401  1
  H  H29  1  0.16728565  0.09608098  0.95638186  1
  H  H30  1  0.66715318  0.09621147  0.54372728  1
  H  H31  1  0.83217578  0.90368329  0.04304209  1
  C  C32  1  0.19452068  0.44841295  0.51044616  1
  C  C33  1  0.30357457  0.54977005  0.00975082  1
  C  C34  1  0.80362553  0.55009538  0.48983201  1
  C  C35  1  0.69514780  0.44785099  0.98974008  1
  C  C36  1  0.23871852  0.56320151  0.44361016  1
  C  C37  1  0.25890012  0.43496764  0.94296118  1
  C  C38  1  0.75930359  0.43547837  0.55671681  1
  C  C39  1  0.73928669  0.56298576  0.05645089  1
  C  C40  1  0.35058064  0.56590563  0.35793994  1
  C  C41  1  0.14751158  0.43253809  0.85714348  1
  C  C42  1  0.64837144  0.43315489  0.64273506  1
  C  C43  1  0.85133334  0.56617129  0.14199092  1
  C  C44  1  0.41578901  0.45499498  0.34325281  1
  C  C45  1  0.08325025  0.54392173  0.84260759  1
  C  C46  1  0.58375490  0.54433927  0.65732345  1
  C  C47  1  0.91629969  0.45518922  0.15650363  1
  C  C48  1  0.36267096  0.34162489  0.41272595  1
  C  C49  1  0.13648170  0.65751908  0.91192394  1
  C  C50  1  0.63655731  0.65776825  0.58795277  1
  C  C51  1  0.86344532  0.34171379  0.08694668  1
  C  C52  1  0.42383775  0.22231010  0.40343164  1
  C  C53  1  0.07508365  0.77642485  0.90212359  1
  C  C54  1  0.57496989  0.77655798  0.59776305  1
  C  C55  1  0.92463473  0.22243587  0.09690895  1
  C  C56  1  0.43571370  0.00018123  0.45470000  1
  C  C57  1  0.06338267  0.99989863  0.95403707  1
  C  C58  1  0.56342501  0.99992376  0.54586462  1
  C  C59  1  0.93550687  0.00004381  0.04523222  1
  N  N60  1  0.25057355  0.33719292  0.49461678  1
  N  N61  1  0.25098904  0.66298443  0.99314582  1
  N  N62  1  0.75079066  0.66315859  0.50658344  1
  N  N63  1  0.75143987  0.33660386  0.00480358  1
  N  N64  1  0.35849957  0.11462634  0.46178606  1
  N  N65  1  0.14006167  0.88496032  0.96042526  1
  N  N66  1  0.64010926  0.88497689  0.53947355  1
  N  N67  1  0.85850316  0.11459317  0.03900376  1
  N  N68  1  0.02759255  0.91728579  0.57536838  1
  N  N69  1  0.47240167  0.08554844  0.07342353  1
  N  N70  1  0.97501087  0.08499503  0.42882877  1
  N  N71  1  0.53187872  0.91896785  0.92420627  1
  N  N72  1  0.09351906  0.83537511  0.61440497  1
  N  N73  1  0.41338349  0.17198652  0.11156438  1
  N  N74  1  0.91629936  0.17165140  0.39052335  1
  N  N75  1  0.59468689  0.83488588  0.88557867  1
  N  N76  1  0.15266650  0.75116909  0.64731478  1
  N  N77  1  0.34989907  0.25251850  0.14659497  1
  N  N78  1  0.85195254  0.25081062  0.35409559  1
  N  N79  1  0.65249283  0.74961481  0.85316458  1
  N  N80  1  0.96962670  0.19796868  0.65302524  1
  N  N81  1  0.52924444  0.80041072  0.15006676  1
  N  N82  1  0.03091749  0.80111787  0.35053822  1
  N  N83  1  0.46551721  0.20111551  0.84477920  1
  N  N84  1  0.87830671  0.15893279  0.72761569  1
  N  N85  1  0.62327278  0.84024469  0.22320252  1
  N  N86  1  0.12358731  0.84080916  0.27669821  1
  N  N87  1  0.37525837  0.15935006  0.77057072  1
  N  N88  1  0.77824932  0.11619723  0.79656901  1
  N  N89  1  0.72223051  0.88273569  0.29249444  1
  N  N90  1  0.22139474  0.88371551  0.20695311  1
  N  N91  1  0.27591360  0.11308760  0.70174613  1
