# generated using pymatgen
data_Mn2FeNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11598532
_cell_length_b   10.13586060
_cell_length_c   12.55195501
_cell_angle_alpha   90.02348239
_cell_angle_beta   90.01712208
_cell_angle_gamma   106.45028175
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Ni1 H28 C28 N32'
_cell_volume   990.28817974
_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
  Fe  Fe0  1  0.16043879  0.12351057  0.55481706  1
  Mn  Mn1  1  0.34266571  0.86572817  0.05481839  1
  Ni  Ni2  1  0.83834030  0.86618514  0.44157329  1
  Mn  Mn3  1  0.65724884  0.13172047  0.94693051  1
  H  H4  1  0.11197580  0.44968608  0.58087415  1
  H  H5  1  0.38493357  0.54979007  0.08166921  1
  H  H6  1  0.88618809  0.55214789  0.41716409  1
  H  H7  1  0.61425575  0.44925681  0.91953742  1
  H  H8  1  0.18531435  0.64820185  0.46143925  1
  H  H9  1  0.31187892  0.35001278  0.96058138  1
  H  H10  1  0.81448886  0.35318251  0.53665835  1
  H  H11  1  0.68684978  0.64911794  0.04009205  1
  H  H12  1  0.38952493  0.65331843  0.30596537  1
  H  H13  1  0.11124215  0.34599956  0.80484132  1
  H  H14  1  0.61401800  0.34812117  0.69351727  1
  H  H15  1  0.88987927  0.65451215  0.19538179  1
  H  H16  1  0.49958068  0.44711591  0.27932032  1
  H  H17  1  1.00103758  0.55209778  0.77780196  1
  H  H18  1  0.50228412  0.55335903  0.72083822  1
  H  H19  1  0.00025433  0.44900678  0.22245746  1
  H  H20  1  0.52665341  0.22898236  0.34898774  1
  H  H21  1  0.97393418  0.76926536  0.84645738  1
  H  H22  1  0.47226980  0.76919757  0.65160004  1
  H  H23  1  0.02790026  0.23218163  0.15477001  1
  H  H24  1  0.49416279  0.00277861  0.37675826  1
  H  H25  1  1.00639907  1.00001424  0.87837343  1
  H  H26  1  0.50877430  1.00077242  0.62222662  1
  H  H27  1  -0.00428431  0.00073725  0.12366963  1
  H  H28  1  0.33127288  0.90002066  0.46069011  1
  H  H29  1  0.17243678  0.09795576  0.96271619  1
  H  H30  1  0.67286805  0.09920285  0.53572180  1
  H  H31  1  0.82971728  0.90224331  0.03936920  1
  C  C32  1  0.19203838  0.44775557  0.51127964  1
  C  C33  1  0.30630000  0.55082006  0.01135766  1
  C  C34  1  0.80619920  0.55384201  0.48670945  1
  C  C35  1  0.69326294  0.44836880  0.98973757  1
  C  C36  1  0.23715109  0.56231860  0.44444544  1
  C  C37  1  0.26106936  0.43651838  0.94411431  1
  C  C38  1  0.76303131  0.43926497  0.55384530  1
  C  C39  1  0.73829036  0.56299240  0.05665755  1
  C  C40  1  0.34907151  0.56470733  0.35879915  1
  C  C41  1  0.15036125  0.43455678  0.85787988  1
  C  C42  1  0.65249038  0.43642502  0.64023082  1
  C  C43  1  0.84986723  0.56577858  0.14254355  1
  C  C44  1  0.41237833  0.45294629  0.34397689  1
  C  C45  1  0.08745570  0.54656366  0.84295375  1
  C  C46  1  0.58824691  0.54769326  0.65540552  1
  C  C47  1  0.91315558  0.45395659  0.15754079  1
  C  C48  1  0.35841294  0.33949244  0.41352456  1
  C  C49  1  0.14074654  0.65962984  0.91269044  1
  C  C50  1  0.63981801  0.66078640  0.58543601  1
  C  C51  1  0.85988178  0.34045871  0.08818728  1
  C  C52  1  0.42054301  0.22088164  0.40481839  1
  C  C53  1  0.07823725  0.77809014  0.90395339  1
  C  C54  1  0.57743823  0.77974038  0.59476336  1
  C  C55  1  0.92324033  0.22238734  0.09733331  1
  C  C56  1  0.43311249  -0.00269805  0.45550922  1
  C  C57  1  0.06794229  1.00233321  0.95676304  1
  C  C58  1  0.56867354  1.00370580  0.54323670  1
  C  C59  1  0.93427883  -0.00215747  0.04520590  1
  N  N60  1  0.24489041  0.33494473  0.49499243  1
  N  N61  1  0.25480864  0.66456412  0.99421493  1
  N  N62  1  0.75125682  0.66555504  0.50312469  1
  N  N63  1  0.74512074  0.33482165  0.00687843  1
  N  N64  1  0.35297386  0.11044883  0.46099552  1
  N  N65  1  0.14452387  0.88702398  0.96159968  1
  N  N66  1  0.64516333  0.88862157  0.53849034  1
  N  N67  1  0.85737200  0.11284792  0.04037985  1
  N  N68  1  0.02700733  0.91918183  0.58074311  1
  N  N69  1  0.46509063  0.08423171  0.07452309  1
  N  N70  1  0.98097199  0.08364810  0.42480716  1
  N  N71  1  0.53409887  0.91447422  0.92622110  1
  N  N72  1  0.09199132  0.83421776  0.61583275  1
  N  N73  1  0.40387592  0.16780858  0.11559363  1
  N  N74  1  0.91417975  0.16708309  0.38914321  1
  N  N75  1  0.59548721  0.83114640  0.88494438  1
  N  N76  1  0.15735400  0.75260862  0.64623491  1
  N  N77  1  0.34240365  0.24949279  0.15032883  1
  N  N78  1  0.84347533  0.24363987  0.35566469  1
  N  N79  1  0.65797921  0.75023110  0.84991125  1
  N  N80  1  0.96451695  0.19520249  0.64713176  1
  N  N81  1  0.53469933  0.80608936  0.15515772  1
  N  N82  1  0.03469576  0.80460398  0.35351586  1
  N  N83  1  0.45518714  0.19282084  0.84188315  1
  N  N84  1  0.87993710  0.15681204  0.72441502  1
  N  N85  1  0.62266298  0.84133388  0.23178902  1
  N  N86  1  0.11783834  0.84246477  0.27575163  1
  N  N87  1  0.37111633  0.15948629  0.76408859  1
  N  N88  1  0.79063008  0.12385837  0.79949480  1
  N  N89  1  0.71665256  0.87350277  0.30445703  1
  N  N90  1  0.20733377  0.87810180  0.20085231  1
  N  N91  1  0.27751274  0.12656593  0.69033381  1
