# generated using pymatgen
data_MnNiH14(C7N8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11785672
_cell_length_b   10.13339265
_cell_length_c   12.55909478
_cell_angle_alpha   90.04232770
_cell_angle_beta   89.98064600
_cell_angle_gamma   106.43494209
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH14(C7N8)2
_chemical_formula_sum   'Mn2 Ni2 H28 C28 N32'
_cell_volume   990.91681884
_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  0.15947969  0.13410728  0.55614598  1
  Ni  Ni1  1  0.34108453  0.86744388  0.05368913  1
  Mn  Mn2  1  0.84037312  0.86549511  0.44357426  1
  Ni  Ni3  1  0.65863773  0.13215337  0.94714992  1
  H  H4  1  0.11397281  0.44946549  0.57863789  1
  H  H5  1  0.38556225  0.54998632  0.07944022  1
  H  H6  1  0.88391184  0.54940502  0.42029850  1
  H  H7  1  0.61239959  0.44904993  0.92172901  1
  H  H8  1  0.18719951  0.64976255  0.45909076  1
  H  H9  1  0.31154375  0.35079947  0.96093028  1
  H  H10  1  0.81114257  0.34961251  0.54019731  1
  H  H11  1  0.68698379  0.64864156  0.03978401  1
  H  H12  1  0.38846093  0.65454608  0.30265510  1
  H  H13  1  0.10994226  0.34596335  0.80417428  1
  H  H14  1  0.61157924  0.34584895  0.69739347  1
  H  H15  1  0.89059725  0.65459662  0.19568069  1
  H  H16  1  0.50416291  0.45138077  0.27769990  1
  H  H17  1  0.99660509  0.55040179  0.77867252  1
  H  H18  1  0.49685820  0.54954347  0.72252098  1
  H  H19  1  0.00469575  0.45051415  0.22103964  1
  H  H20  1  0.52634403  0.23131887  0.34279154  1
  H  H21  1  0.97394810  0.76883741  0.84423307  1
  H  H22  1  0.47399710  0.76926052  0.65675185  1
  H  H23  1  0.02685415  0.23182464  0.15594299  1
  H  H24  1  0.50368376  0.00702248  0.37690871  1
  H  H25  1  0.99856438  0.99361804  0.87776421  1
  H  H26  1  0.49694480  0.99352909  0.62216055  1
  H  H27  1  0.00220930  0.00699082  0.12286287  1
  H  H28  1  0.33280837  0.90445993  0.45504584  1
  H  H29  1  0.16853139  0.09681204  0.95751141  1
  H  H30  1  0.66796976  0.09574625  0.54395780  1
  H  H31  1  0.83227100  0.90347247  0.04326454  1
  C  C32  1  0.19554419  0.44970182  0.50956533  1
  C  C33  1  0.30386207  0.55159167  0.01075603  1
  C  C34  1  0.80313491  0.54970648  0.48966288  1
  C  C35  1  0.69497903  0.44791491  0.99006865  1
  C  C36  1  0.24001103  0.56427323  0.44264811  1
  C  C37  1  0.25965267  0.43665239  0.94384741  1
  C  C38  1  0.75888150  0.43535057  0.55684090  1
  C  C39  1  0.73949603  0.56309461  0.05672370  1
  C  C40  1  0.35164187  0.56707107  0.35686691  1
  C  C41  1  0.14825740  0.43382548  0.85803112  1
  C  C42  1  0.64817772  0.43314651  0.64302251  1
  C  C43  1  0.85188519  0.56648089  0.14209641  1
  C  C44  1  0.41684286  0.45608668  0.34252409  1
  C  C45  1  0.08370687  0.54499110  0.84347175  1
  C  C46  1  0.58346880  0.54437012  0.65740909  1
  C  C47  1  0.91687898  0.45553212  0.15655533  1
  C  C48  1  0.36383576  0.34273582  0.41190251  1
  C  C49  1  0.13649226  0.65825535  0.91325685  1
  C  C50  1  0.63613539  0.65742134  0.58771356  1
  C  C51  1  0.86370825  0.34198874  0.08706182  1
  C  C52  1  0.42500986  0.22378405  0.40213070  1
  C  C53  1  0.07553952  0.77773642  0.90329432  1
  C  C54  1  0.57522341  0.77650026  0.59739639  1
  C  C55  1  0.92500306  0.22267588  0.09700982  1
  C  C56  1  0.43681987  0.00069177  0.45383152  1
  C  C57  1  0.06482002  1.00054594  0.95490082  1
  C  C58  1  0.56379445  0.99961339  0.54524997  1
  C  C59  1  0.93584619  -0.00017997  0.04575114  1
  N  N60  1  0.24964541  0.33717959  0.49343759  1
  N  N61  1  0.24839307  0.66317626  0.99532271  1
  N  N62  1  0.74978214  0.66255834  0.50592334  1
  N  N63  1  0.75110775  0.33662966  0.00532797  1
  N  N64  1  0.36003330  0.11569776  0.46083696  1
  N  N65  1  0.14180376  0.88591011  0.96071279  1
  N  N66  1  0.64024755  0.88438630  0.53844746  1
  N  N67  1  0.85860157  0.11430232  0.03983834  1
  N  N68  1  0.03039896  0.91417600  0.57320634  1
  N  N69  1  0.47127307  0.08126225  0.07624205  1
  N  N70  1  0.96922876  0.08567008  0.42642518  1
  N  N71  1  0.52913801  0.91878138  0.92448776  1
  N  N72  1  0.08986202  0.82922207  0.61372228  1
  N  N73  1  0.40984611  0.16714057  0.11269317  1
  N  N74  1  0.90971055  0.17050689  0.38578888  1
  N  N75  1  0.59021172  0.83271743  0.88800398  1
  N  N76  1  0.15142657  0.74737949  0.64797077  1
  N  N77  1  0.34850309  0.25021702  0.14591657  1
  N  N78  1  0.84815480  0.25226353  0.35136835  1
  N  N79  1  0.65120242  0.74946330  0.85472969  1
  N  N80  1  0.96820930  0.19932998  0.65377454  1
  N  N81  1  0.52921940  0.79861781  0.14948815  1
  N  N82  1  0.03212937  0.80027026  0.34651036  1
  N  N83  1  0.47028491  0.20062871  0.85097796  1
  N  N84  1  0.87471981  0.16047356  0.72770270  1
  N  N85  1  0.62114863  0.84135082  0.22278230  1
  N  N86  1  0.12561708  0.83917354  0.27256551  1
  N  N87  1  0.37965312  0.15828498  0.77702439  1
  N  N88  1  0.77633205  0.11497557  0.79664575  1
  N  N89  1  0.72098572  0.88441193  0.29201099  1
  N  N90  1  0.22408918  0.88489362  0.20372720  1
  N  N91  1  0.28107970  0.11579622  0.70711196  1
