# generated using pymatgen
data_MnNiH14(C7N8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11777924
_cell_length_b   10.13335052
_cell_length_c   12.55885449
_cell_angle_alpha   90.03433279
_cell_angle_beta   89.98793939
_cell_angle_gamma   106.43588250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH14(C7N8)2
_chemical_formula_sum   'Mn2 Ni2 H28 C28 N32'
_cell_volume   990.87958617
_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
  Mn  Mn0  1  0.15631931  0.13041609  0.55198580  1
  Ni  Ni1  1  0.33845582  0.86512312  0.05793248  1
  Ni  Ni2  1  0.83868570  0.86524300  0.44230053  1
  Mn  Mn3  1  0.65654011  0.13042983  0.94799206  1
  H  H4  1  0.11406195  0.44943885  0.57850964  1
  H  H5  1  0.38549167  0.54966560  0.07961501  1
  H  H6  1  0.88545241  0.54983314  0.41991248  1
  H  H7  1  0.61414633  0.44981682  0.92203477  1
  H  H8  1  0.18719254  0.65007296  0.45894305  1
  H  H9  1  0.31146624  0.35072612  0.96080639  1
  H  H10  1  0.81186678  0.35107505  0.53871309  1
  H  H11  1  0.68782748  0.65052181  0.04154202  1
  H  H12  1  0.38990423  0.65522790  0.30313888  1
  H  H13  1  0.11120416  0.34681782  0.80359740  1
  H  H14  1  0.61213879  0.34736271  0.69623979  1
  H  H15  1  0.89144519  0.65598130  0.19692336  1
  H  H16  1  0.50486125  0.45174963  0.27793231  1
  H  H17  1  0.99721912  0.55097912  0.77849363  1
  H  H18  1  0.49771019  0.55131576  0.72143405  1
  H  H19  1  0.00575352  0.45219123  0.22208884  1
  H  H20  1  0.52729545  0.23200644  0.34285766  1
  H  H21  1  0.97496895  0.76922686  0.84409776  1
  H  H22  1  0.47441447  0.76919291  0.65548000  1
  H  H23  1  0.02698365  0.23209131  0.15748332  1
  H  H24  1  0.50364870  0.00656730  0.37621151  1
  H  H25  1  0.99877054  0.99285362  0.87835403  1
  H  H26  1  0.49842800  0.99282246  0.62149278  1
  H  H27  1  0.00344647  0.00652029  0.12364981  1
  H  H28  1  0.33370474  0.90406206  0.45476769  1
  H  H29  1  0.16862467  0.09650019  0.95751710  1
  H  H30  1  0.66840012  0.09665514  0.54258470  1
  H  H31  1  0.83333527  0.90431004  0.04490935  1
  C  C32  1  0.19532644  0.44954569  0.50927695  1
  C  C33  1  0.30365833  0.55154637  0.01103808  1
  C  C34  1  0.80379214  0.55177114  0.48858948  1
  C  C35  1  0.69559296  0.44989640  0.99115984  1
  C  C36  1  0.23984572  0.56439933  0.44257362  1
  C  C37  1  0.25963250  0.43672921  0.94398002  1
  C  C38  1  0.76002203  0.43706567  0.55566750  1
  C  C39  1  0.74048237  0.56486527  0.05784366  1
  C  C40  1  0.35192055  0.56738597  0.35698380  1
  C  C41  1  0.14853094  0.43408702  0.85799059  1
  C  C42  1  0.64912793  0.43450076  0.64178463  1
  C  C43  1  0.85287931  0.56792591  0.14324446  1
  C  C44  1  0.41706225  0.45639027  0.34256229  1
  C  C45  1  0.08392805  0.54529682  0.84348396  1
  C  C46  1  0.58428775  0.54560026  0.65634104  1
  C  C47  1  0.91776363  0.45680336  0.15758905  1
  C  C48  1  0.36376604  0.34271314  0.41172800  1
  C  C49  1  0.13669953  0.65843847  0.91339138  1
  C  C50  1  0.63671914  0.65861049  0.58638720  1
  C  C51  1  0.86405936  0.34301738  0.08844904  1
  C  C52  1  0.42531219  0.22393822  0.40188407  1
  C  C53  1  0.07608495  0.77796031  0.90345768  1
  C  C54  1  0.57583453  0.77801338  0.59630016  1
  C  C55  1  0.92538993  0.22413923  0.09821553  1
  C  C56  1  0.43725335  0.00046490  0.45319466  1
  C  C57  1  0.06509602  1.00022152  0.95550691  1
  C  C58  1  0.56499738  1.00028699  0.54440769  1
  C  C59  1  0.93718852  0.00052095  0.04663883  1
  N  N60  1  0.24886150  0.33678543  0.49279674  1
  N  N61  1  0.24790728  0.66305923  0.99586545  1
  N  N62  1  0.74798236  0.66325266  0.50389378  1
  N  N63  1  0.74904650  0.33710114  0.00748423  1
  N  N64  1  0.36006112  0.11508734  0.45969553  1
  N  N65  1  0.14198210  0.88559737  0.96159135  1
  N  N66  1  0.64192251  0.88568676  0.53832377  1
  N  N67  1  0.86032556  0.11534023  0.04023598  1
  N  N68  1  0.02725938  0.91441489  0.57326397  1
  N  N69  1  0.46886374  0.08161818  0.07623123  1
  N  N70  1  0.96878255  0.08141221  0.42379729  1
  N  N71  1  0.52770490  0.91424477  0.92723830  1
  N  N72  1  0.08579724  0.82774403  0.61134003  1
  N  N73  1  0.40583002  0.16539228  0.11508578  1
  N  N74  1  0.90575969  0.16506286  0.38483255  1
  N  N75  1  0.58607529  0.82749699  0.88902593  1
  N  N76  1  0.14975018  0.74753877  0.64631685  1
  N  N77  1  0.34753840  0.25042709  0.14742965  1
  N  N78  1  0.84752125  0.25001833  0.35237581  1
  N  N79  1  0.64979411  0.74722071  0.85381201  1
  N  N80  1  0.96989177  0.19845504  0.64984163  1
  N  N81  1  0.53145277  0.79892868  0.15391896  1
  N  N82  1  0.03296156  0.79960476  0.34679436  1
  N  N83  1  0.47066249  0.19894504  0.85012569  1
  N  N84  1  0.87614599  0.15898566  0.72320452  1
  N  N85  1  0.62301587  0.83992009  0.22800714  1
  N  N86  1  0.12318865  0.84006521  0.27203114  1
  N  N87  1  0.37675836  0.15946173  0.77677050  1
  N  N88  1  0.77868861  0.11571897  0.79313073  1
  N  N89  1  0.72440088  0.88457029  0.29613451  1
  N  N90  1  0.22304769  0.88527983  0.20326021  1
  N  N91  1  0.27900897  0.11664875  0.70694577  1
