# generated using pymatgen
data_Mn2FeNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11655588
_cell_length_b   10.13584258
_cell_length_c   12.55281311
_cell_angle_alpha   90.02603507
_cell_angle_beta   89.99364958
_cell_angle_gamma   106.45642552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Ni1 H28 C28 N32'
_cell_volume   990.39245189
_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
  Ni  Ni0  1  0.16548957  0.12637262  0.55610044  1
  Mn  Mn1  1  0.34258583  0.86657826  0.05133727  1
  Mn  Mn2  1  0.84465767  0.86844458  0.44999877  1
  Fe  Fe3  1  0.65926837  0.12591519  0.94298491  1
  H  H4  1  0.11222195  0.44576896  0.58201579  1
  H  H5  1  0.38495354  0.55125867  0.08143251  1
  H  H6  1  0.88573875  0.55207492  0.41856444  1
  H  H7  1  0.61277206  0.45059362  0.91884251  1
  H  H8  1  0.18442650  0.64531756  0.46296151  1
  H  H9  1  0.31312712  0.35079075  0.96067679  1
  H  H10  1  0.81214717  0.35096208  0.53827735  1
  H  H11  1  0.68539597  0.64825527  0.03933451  1
  H  H12  1  0.38705594  0.65196752  0.30714922  1
  H  H13  1  0.11373366  0.34648496  0.80408199  1
  H  H14  1  0.60983801  0.34557081  0.69385318  1
  H  H15  1  0.88956880  0.65309946  0.19434874  1
  H  H16  1  0.49825335  0.44636189  0.27922955  1
  H  H17  1  1.00089596  0.55115936  0.77736513  1
  H  H18  1  0.49968534  0.55099073  0.72173988  1
  H  H19  1  -0.00167838  0.44605556  0.22118198  1
  H  H20  1  0.52901339  0.23168394  0.34735842  1
  H  H21  1  0.97264306  0.76879402  0.84604718  1
  H  H22  1  0.47077618  0.76868583  0.65232443  1
  H  H23  1  0.02474933  0.22824455  0.15179359  1
  H  H24  1  0.49486800  -0.00099086  0.37684131  1
  H  H25  1  1.00781128  1.00112533  0.87637828  1
  H  H26  1  0.50730001  1.00096365  0.62239207  1
  H  H27  1  -0.00553958  0.00243309  0.12191613  1
  H  H28  1  0.32994691  0.90022226  0.46262567  1
  H  H29  1  0.17228647  0.09868313  0.96193407  1
  H  H30  1  0.67226042  0.09899903  0.53730763  1
  H  H31  1  0.83096554  0.90012422  0.03813086  1
  C  C32  1  0.19294098  0.44450417  0.51266858  1
  C  C33  1  0.30691314  0.55174190  0.01077822  1
  C  C34  1  0.80747017  0.55249860  0.48912247  1
  C  C35  1  0.69258848  0.44819120  0.98848804  1
  C  C36  1  0.23650013  0.55955436  0.44594039  1
  C  C37  1  0.26225757  0.43720372  0.94382359  1
  C  C38  1  0.76159050  0.43747544  0.55541029  1
  C  C39  1  0.73763819  0.56247452  0.05575073  1
  C  C40  1  0.34786160  0.56315683  0.35988106  1
  C  C41  1  0.15184385  0.43487780  0.85739292  1
  C  C42  1  0.65017747  0.43461794  0.64140827  1
  C  C43  1  0.84937897  0.56453223  0.14145287  1
  C  C44  1  0.41185545  0.45186295  0.34443926  1
  C  C45  1  0.08786511  0.54633648  0.84236287  1
  C  C46  1  0.58691910  0.54635785  0.65683654  1
  C  C47  1  0.91209949  0.45245997  0.15615363  1
  C  C48  1  0.35994427  0.33841868  0.41413863  1
  C  C49  1  0.14076333  0.65980449  0.91171573  1
  C  C50  1  0.64077195  0.66023831  0.58803510  1
  C  C51  1  0.85830981  0.33936113  0.08621298  1
  C  C52  1  0.42357485  0.22015618  0.40406113  1
  C  C53  1  0.07777704  0.77808173  0.90297550  1
  C  C54  1  0.57752245  0.77824508  0.59654898  1
  C  C55  1  0.91992175  0.22052968  0.09506379  1
  C  C56  1  0.43389968  -0.00412402  0.45551865  1
  C  C57  1  0.06776109  1.00315699  0.95520552  1
  C  C58  1  0.56841572  1.00303083  0.54395120  1
  C  C59  1  0.93303040  -0.00271828  0.04325728  1
  N  N60  1  0.24837308  0.33306959  0.49652296  1
  N  N61  1  0.25559734  0.66538848  0.99271370  1
  N  N62  1  0.75661636  0.66628337  0.50749305  1
  N  N63  1  0.74533954  0.33514846  0.00436088  1
  N  N64  1  0.35681261  0.11024771  0.45939897  1
  N  N65  1  0.14426874  0.88775559  0.95977551  1
  N  N66  1  0.64567177  0.88826670  0.54043786  1
  N  N67  1  0.85299777  0.11050283  0.03832515  1
  N  N68  1  0.03465190  0.92127510  0.58022137  1
  N  N69  1  0.47726697  0.08597744  0.07048406  1
  N  N70  1  0.97064477  0.08288038  0.42399438  1
  N  N71  1  0.52935611  0.91743089  0.92086168  1
  N  N72  1  0.09904507  0.83758673  0.61780984  1
  N  N73  1  0.41601511  0.17101137  0.10985034  1
  N  N74  1  0.91030714  0.16927459  0.38747249  1
  N  N75  1  0.59733479  0.83633409  0.88164433  1
  N  N76  1  0.16198974  0.75474211  0.64875181  1
  N  N77  1  0.34867569  0.24800100  0.14606092  1
  N  N78  1  0.84675282  0.25045968  0.35380803  1
  N  N79  1  0.66186463  0.75509080  0.84985256  1
  N  N80  1  0.94700882  0.19866351  0.65842454  1
  N  N81  1  0.53242264  0.80519312  0.14752471  1
  N  N82  1  0.03340626  0.80579457  0.35346898  1
  N  N83  1  0.46075847  0.19419263  0.84586435  1
  N  N84  1  0.86609249  0.16259849  0.73646636  1
  N  N85  1  0.61889532  0.84171540  0.22456730  1
  N  N86  1  0.11859693  0.84248440  0.27609079  1
  N  N87  1  0.37638887  0.15788841  0.76784860  1
  N  N88  1  0.77622223  0.12455865  0.81133865  1
  N  N89  1  0.70968823  0.87550390  0.29870674  1
  N  N90  1  0.20899526  0.87890046  0.20201793  1
  N  N91  1  0.28713884  0.13077807  0.69273365  1
