# generated using pymatgen
data_MnFeH14(C7N8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11767626
_cell_length_b   10.13657397
_cell_length_c   12.55603123
_cell_angle_alpha   90.02918390
_cell_angle_beta   90.00984652
_cell_angle_gamma   106.44500593
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeH14(C7N8)2
_chemical_formula_sum   'Mn2 Fe2 H28 C28 N32'
_cell_volume   990.91283003
_cell_formula_units_Z   2
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  0.16607526  0.12769938  0.55734910  1
  Mn  Mn1  1  0.33894800  0.86725859  0.05388185  1
  Fe  Fe2  1  0.83431540  0.87229954  0.44235933  1
  Mn  Mn3  1  0.66157321  0.13247217  0.94682750  1
  H  H4  1  0.11271289  0.44983733  0.58034404  1
  H  H5  1  0.38395242  0.54951884  0.08068767  1
  H  H6  1  0.88546940  0.54922510  0.41876655  1
  H  H7  1  0.61422357  0.44946660  0.92031367  1
  H  H8  1  0.18494489  0.64833560  0.46100311  1
  H  H9  1  0.31107264  0.34974307  0.96008233  1
  H  H10  1  0.81328191  0.35093266  0.53832391  1
  H  H11  1  0.68747849  0.64974748  0.04062605  1
  H  H12  1  0.38662895  0.65315625  0.30451316  1
  H  H13  1  0.11075541  0.34565966  0.80384269  1
  H  H14  1  0.61337731  0.34717463  0.69560435  1
  H  H15  1  0.88967555  0.65489732  0.19601197  1
  H  H16  1  0.50119277  0.44911153  0.27901554  1
  H  H17  1  0.99828607  0.55027727  0.77778259  1
  H  H18  1  0.49959837  0.55162282  0.72118460  1
  H  H19  1  0.00283805  0.45057003  0.22199227  1
  H  H20  1  0.52601119  0.22903961  0.34689465  1
  H  H21  1  0.97279507  0.76835415  0.84495880  1
  H  H22  1  0.47440531  0.77152433  0.65278881  1
  H  H23  1  0.02810051  0.23214938  0.15517016  1
  H  H24  1  0.49828236  0.00551701  0.37700785  1
  H  H25  1  1.00069238  0.99719331  0.87774311  1
  H  H26  1  0.50236624  0.99497659  0.62210820  1
  H  H27  1  0.00008753  0.00337808  0.12287762  1
  H  H28  1  0.33239989  0.90116308  0.45787069  1
  H  H29  1  0.16995971  0.09702751  0.95908966  1
  H  H30  1  0.66847502  0.09889356  0.54118905  1
  H  H31  1  0.83089850  0.90319814  0.04159849  1
  C  C32  1  0.19297620  0.44823352  0.51082035  1
  C  C33  1  0.30478481  0.55037606  0.01059924  1
  C  C34  1  0.80586855  0.55121620  0.48854830  1
  C  C35  1  0.69418456  0.44917405  0.99011755  1
  C  C36  1  0.23714685  0.56267917  0.44389390  1
  C  C37  1  0.25998103  0.43602999  0.94348478  1
  C  C38  1  0.76173980  0.43690350  0.55562603  1
  C  C39  1  0.73921465  0.56374786  0.05701208  1
  C  C40  1  0.34870160  0.56519786  0.35807093  1
  C  C41  1  0.14923391  0.43377091  0.85727880  1
  C  C42  1  0.65108046  0.43493949  0.64184222  1
  C  C43  1  0.85091354  0.56655230  0.14281025  1
  C  C44  1  0.41338341  0.45414128  0.34347325  1
  C  C45  1  0.08561689  0.54538466  0.84253288  1
  C  C46  1  0.58687032  0.54623954  0.65650904  1
  C  C47  1  0.91498248  0.45516039  0.15747692  1
  C  C48  1  0.36011093  0.34062525  0.41296865  1
  C  C49  1  0.13887072  0.65864328  0.91210238  1
  C  C50  1  0.63989739  0.65949416  0.58674742  1
  C  C51  1  0.86140917  0.34164601  0.08820003  1
  C  C52  1  0.42192628  0.22195336  0.40397910  1
  C  C53  1  0.07643792  0.77700241  0.90284595  1
  C  C54  1  0.57831611  0.77828383  0.59562929  1
  C  C55  1  0.92414361  0.22342688  0.09747031  1
  C  C56  1  0.43458880  -0.00160336  0.45498851  1
  C  C57  1  0.06520311  1.00135665  0.95526517  1
  C  C58  1  0.56602415  1.00180317  0.54413934  1
  C  C59  1  0.93552989  -0.00104640  0.04534765  1
  N  N60  1  0.24707581  0.33590852  0.49470236  1
  N  N61  1  0.25296511  0.66393762  0.99364834  1
  N  N62  1  0.75256428  0.66387055  0.50484945  1
  N  N63  1  0.74673089  0.33593456  0.00691403  1
  N  N64  1  0.35513574  0.11198224  0.46086023  1
  N  N65  1  0.14205619  0.88640062  0.96009213  1
  N  N66  1  0.64504957  0.88797368  0.53841619  1
  N  N67  1  0.85847344  0.11377498  0.04050122  1
  N  N68  1  0.01755959  0.91488995  0.57181422  1
  N  N69  1  0.46695251  0.08525576  0.07344251  1
  N  N70  1  0.98203580  0.08464403  0.42793954  1
  N  N71  1  0.53330841  0.91457493  0.92727680  1
  N  N72  1  0.08309732  0.83174666  0.61040571  1
  N  N73  1  0.40657872  0.16913868  0.11471290  1
  N  N74  1  0.91641269  0.16774977  0.38934215  1
  N  N75  1  0.59336854  0.83061863  0.88581617  1
  N  N76  1  0.15316663  0.75582928  0.64518802  1
  N  N77  1  0.34472542  0.25051809  0.14964906  1
  N  N78  1  0.84670656  0.24382655  0.35444166  1
  N  N79  1  0.65519207  0.74928423  0.85076740  1
  N  N80  1  0.96780865  0.19707342  0.64804460  1
  N  N81  1  0.54310363  0.80484146  0.15880335  1
  N  N82  1  0.03237458  0.80243118  0.35232617  1
  N  N83  1  0.45547808  0.19421658  0.84139969  1
  N  N84  1  0.87966062  0.15685529  0.72361552  1
  N  N85  1  0.63132818  0.84238437  0.23409076  1
  N  N86  1  0.12036316  0.84278766  0.27677681  1
  N  N87  1  0.36910382  0.15751114  0.76520968  1
  N  N88  1  0.78567057  0.11976738  0.79608382  1
  N  N89  1  0.72695716  0.87706082  0.30675480  1
  N  N90  1  0.21466288  0.88028634  0.20442122  1
  N  N91  1  0.27432894  0.12418865  0.69211656  1
