# generated using pymatgen
data_Mn2FeNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11741430
_cell_length_b   10.13473408
_cell_length_c   12.55681619
_cell_angle_alpha   90.02710929
_cell_angle_beta   90.00325026
_cell_angle_gamma   106.43998538
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Ni1 H28 C28 N32'
_cell_volume   990.78860656
_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  0.16078596  0.13419172  0.55665749  1
  Mn  Mn1  1  0.34021269  0.86747819  0.05453542  1
  Fe  Fe2  1  0.83859617  0.87587495  0.44337852  1
  Mn  Mn3  1  0.65871258  0.13376195  0.94436826  1
  H  H4  1  0.11232833  0.44808475  0.57999792  1
  H  H5  1  0.38376812  0.54924398  0.08003006  1
  H  H6  1  0.88511502  0.54876672  0.41959029  1
  H  H7  1  0.61394415  0.44994859  0.92085688  1
  H  H8  1  0.18554126  0.64752282  0.46105865  1
  H  H9  1  0.31088136  0.34953636  0.95958440  1
  H  H10  1  0.81200784  0.35029503  0.53879181  1
  H  H11  1  0.68785046  0.65013090  0.04114668  1
  H  H12  1  0.38701144  0.65326972  0.30482437  1
  H  H13  1  0.11062171  0.34535236  0.80300579  1
  H  H14  1  0.61036203  0.34593939  0.69555643  1
  H  H15  1  0.88968272  0.65501900  0.19663872  1
  H  H16  1  0.50210524  0.44933442  0.27901507  1
  H  H17  1  0.99738434  0.54981674  0.77751207  1
  H  H18  1  0.49787944  0.55098094  0.72121739  1
  H  H19  1  0.00365307  0.45099044  0.22198114  1
  H  H20  1  0.52714300  0.23170895  0.34555442  1
  H  H21  1  0.97380137  0.76853924  0.84359354  1
  H  H22  1  0.47430571  0.77135302  0.65330755  1
  H  H23  1  0.02639838  0.23159255  0.15579320  1
  H  H24  1  0.49927452  0.00461685  0.37692221  1
  H  H25  1  0.99885745  0.99570504  0.87744146  1
  H  H26  1  0.49999227  0.99389017  0.62201495  1
  H  H27  1  0.00117196  0.00503703  0.12245326  1
  H  H28  1  0.33102606  0.90243394  0.45820217  1
  H  H29  1  0.16923805  0.09649383  0.95746109  1
  H  H30  1  0.66782150  0.09802207  0.54222015  1
  H  H31  1  0.83122017  0.90395096  0.04248659  1
  C  C32  1  0.19403189  0.44690211  0.51121216  1
  C  C33  1  0.30395487  0.55004859  0.01026568  1
  C  C34  1  0.80519523  0.55083091  0.48921064  1
  C  C35  1  0.69467737  0.44954947  0.99024809  1
  C  C36  1  0.23781624  0.56177757  0.44435991  1
  C  C37  1  0.25931089  0.43562104  0.94307633  1
  C  C38  1  0.76048318  0.43627682  0.55608541  1
  C  C39  1  0.73986242  0.56417459  0.05723153  1
  C  C40  1  0.34943133  0.56520929  0.35849899  1
  C  C41  1  0.14853781  0.43322221  0.85687704  1
  C  C42  1  0.64927635  0.43400875  0.64204237  1
  C  C43  1  0.85155974  0.56700630  0.14297948  1
  C  C44  1  0.41468877  0.45437977  0.34379949  1
  C  C45  1  0.08459928  0.54481491  0.84233356  1
  C  C46  1  0.58541919  0.54555038  0.65665177  1
  C  C47  1  0.91592566  0.45563513  0.15738597  1
  C  C48  1  0.36226541  0.34097424  0.41344776  1
  C  C49  1  0.13770304  0.65801387  0.91198585  1
  C  C50  1  0.63901307  0.65893764  0.58694840  1
  C  C51  1  0.86226781  0.34220694  0.08798789  1
  C  C52  1  0.42412312  0.22192621  0.40378837  1
  C  C53  1  0.07598262  0.77674705  0.90243363  1
  C  C54  1  0.57774223  0.77790784  0.59582514  1
  C  C55  1  0.92393997  0.22350788  0.09719472  1
  C  C56  1  0.43452526  -0.00124320  0.45454770  1
  C  C57  1  0.06448018  1.00071452  0.95463533  1
  C  C58  1  0.56510702  1.00102846  0.54453750  1
  C  C59  1  0.93548524  0.00003680  0.04523595  1
  N  N60  1  0.24991179  0.33555747  0.49537437  1
  N  N61  1  0.25166544  0.66332494  0.99364779  1
  N  N62  1  0.75238461  0.66362673  0.50530790  1
  N  N63  1  0.74753764  0.33654616  0.00673187  1
  N  N64  1  0.35706383  0.11327184  0.46050608  1
  N  N65  1  0.14065181  0.88549267  0.96048925  1
  N  N66  1  0.64404067  0.88734671  0.53836290  1
  N  N67  1  0.85864751  0.11498176  0.03894727  1
  N  N68  1  0.02102421  0.91573407  0.57133759  1
  N  N69  1  0.46841030  0.08551772  0.07343805  1
  N  N70  1  0.97351669  0.08176705  0.42337909  1
  N  N71  1  0.53233363  0.91473765  0.92713907  1
  N  N72  1  0.08528440  0.83224014  0.60955957  1
  N  N73  1  0.40845129  0.16999605  0.11431537  1
  N  N74  1  0.91033667  0.16665534  0.38601903  1
  N  N75  1  0.59221828  0.83037298  0.88607940  1
  N  N76  1  0.15150997  0.75373897  0.64492817  1
  N  N77  1  0.34641256  0.25135362  0.14903024  1
  N  N78  1  0.84649512  0.24837987  0.35397872  1
  N  N79  1  0.65322929  0.74829177  0.85150255  1
  N  N80  1  0.96890403  0.19790644  0.64838645  1
  N  N81  1  0.53947185  0.80284474  0.15793578  1
  N  N82  1  0.03165916  0.80096443  0.35195867  1
  N  N83  1  0.46778437  0.19795089  0.84523865  1
  N  N84  1  0.88041952  0.15711129  0.72355196  1
  N  N85  1  0.63013963  0.84082839  0.23239871  1
  N  N86  1  0.12085807  0.84241306  0.27704565  1
  N  N87  1  0.37604162  0.16021443  0.77042697  1
  N  N88  1  0.78437557  0.11675976  0.79495109  1
  N  N89  1  0.72755522  0.87952851  0.30366123  1
  N  N90  1  0.21703257  0.88201424  0.20589395  1
  N  N91  1  0.27854016  0.11789789  0.70046486  1
