# generated using pymatgen
data_MnNiH14(C7N8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11773074
_cell_length_b   10.13357223
_cell_length_c   12.55855019
_cell_angle_alpha   90.03432968
_cell_angle_beta   89.98781429
_cell_angle_gamma   106.43586655
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH14(C7N8)2
_chemical_formula_sum   'Mn2 Ni2 H28 C28 N32'
_cell_volume   990.87141771
_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
  Ni  Ni0  1  0.16044700  0.13391122  0.55531469  1
  Ni  Ni1  1  0.33923087  0.86565946  0.05600460  1
  Mn  Mn2  1  0.84380315  0.86919513  0.44485054  1
  Mn  Mn3  1  0.65644263  0.13065704  0.94523374  1
  H  H4  1  0.11270749  0.44883215  0.57900140  1
  H  H5  1  0.38517108  0.54987886  0.07962347  1
  H  H6  1  0.88411169  0.54936677  0.42024319  1
  H  H7  1  0.61392053  0.44991274  0.92183844  1
  H  H8  1  0.18647828  0.64810656  0.46035062  1
  H  H9  1  0.31139371  0.35087905  0.96056354  1
  H  H10  1  0.81120339  0.34964085  0.53993667  1
  H  H11  1  0.68775552  0.65015473  0.04113664  1
  H  H12  1  0.38777521  0.65345376  0.30371744  1
  H  H13  1  0.11134719  0.34639816  0.80345573  1
  H  H14  1  0.61002750  0.34540616  0.69660439  1
  H  H15  1  0.89146979  0.65568905  0.19661076  1
  H  H16  1  0.50327103  0.44981250  0.27863059  1
  H  H17  1  0.99716813  0.55068811  0.77833172  1
  H  H18  1  0.49671751  0.54959552  0.72208566  1
  H  H19  1  0.00516281  0.45172031  0.22188228  1
  H  H20  1  0.52647279  0.23143267  0.34403398  1
  H  H21  1  0.97459720  0.76918375  0.84389973  1
  H  H22  1  0.47345098  0.76860813  0.65606468  1
  H  H23  1  0.02673053  0.23204582  0.15673185  1
  H  H24  1  0.50179349  0.00672363  0.37704670  1
  H  H25  1  0.99916950  0.99398372  0.87779921  1
  H  H26  1  0.49700701  0.99412456  0.62231065  1
  H  H27  1  0.00342950  0.00646605  0.12308320  1
  H  H28  1  0.33158159  0.90307808  0.45604177  1
  H  H29  1  0.16953865  0.09694105  0.95716818  1
  H  H30  1  0.66726645  0.09618291  0.54309043  1
  H  H31  1  0.83329017  0.90424507  0.04382385  1
  C  C32  1  0.19508657  0.44774374  0.51054348  1
  C  C33  1  0.30347000  0.55140649  0.01093231  1
  C  C34  1  0.80368324  0.54992282  0.48974114  1
  C  C35  1  0.69530200  0.44982593  0.99093205  1
  C  C36  1  0.23899831  0.56255857  0.44365823  1
  C  C37  1  0.25950474  0.43671871  0.94381018  1
  C  C38  1  0.75918626  0.43541477  0.55678697  1
  C  C39  1  0.74037968  0.56467466  0.05770217  1
  C  C40  1  0.35068130  0.56590494  0.35786451  1
  C  C41  1  0.14853481  0.43386399  0.85774903  1
  C  C42  1  0.64813092  0.43311329  0.64273247  1
  C  C43  1  0.85263569  0.56761937  0.14308534  1
  C  C44  1  0.41599967  0.45509205  0.34337421  1
  C  C45  1  0.08390585  0.54501609  0.84324990  1
  C  C46  1  0.58375541  0.54447050  0.65718560  1
  C  C47  1  0.91724668  0.45637782  0.15739761  1
  C  C48  1  0.36346655  0.34181118  0.41303875  1
  C  C49  1  0.13645422  0.65813311  0.91317676  1
  C  C50  1  0.63686627  0.65765261  0.58759826  1
  C  C51  1  0.86342700  0.34278445  0.08814090  1
  C  C52  1  0.42465096  0.22245717  0.40298032  1
  C  C53  1  0.07583992  0.77777122  0.90315489  1
  C  C54  1  0.57549781  0.77659829  0.59711078  1
  C  C55  1  0.92483572  0.22387832  0.09764715  1
  C  C56  1  0.43513601  -0.00047656  0.45412056  1
  C  C57  1  0.06559416  1.00073756  0.95491977  1
  C  C58  1  0.56334862  0.99987999  0.54528732  1
  C  C59  1  0.93721423  0.00053606  0.04601121  1
  N  N60  1  0.25156517  0.33666812  0.49520058  1
  N  N61  1  0.24775737  0.66282307  0.99555978  1
  N  N62  1  0.75100557  0.66294096  0.50615953  1
  N  N63  1  0.74867053  0.33711082  0.00704745  1
  N  N64  1  0.35833082  0.11429290  0.46032926  1
  N  N65  1  0.14186213  0.88568442  0.96090353  1
  N  N66  1  0.64031901  0.88506348  0.53890682  1
  N  N67  1  0.86014250  0.11528897  0.03947299  1
  N  N68  1  0.03051701  0.91784793  0.57496444  1
  N  N69  1  0.46957280  0.08246373  0.07523148  1
  N  N70  1  0.97227105  0.08514917  0.42478088  1
  N  N71  1  0.52761013  0.91442080  0.92566100  1
  N  N72  1  0.09364989  0.83450851  0.61420841  1
  N  N73  1  0.40614221  0.16566326  0.11446847  1
  N  N74  1  0.91342503  0.17212660  0.38761288  1
  N  N75  1  0.58631255  0.82735239  0.88839506  1
  N  N76  1  0.15261482  0.75017661  0.64716005  1
  N  N77  1  0.34679063  0.24977782  0.14753712  1
  N  N78  1  0.84927290  0.25241041  0.35302034  1
  N  N79  1  0.65035381  0.74694306  0.85379344  1
  N  N80  1  0.97017230  0.20033870  0.64963099  1
  N  N81  1  0.52872947  0.79854060  0.14999955  1
  N  N82  1  0.03364487  0.80184429  0.34672174  1
  N  N83  1  0.46734202  0.19815643  0.84641130  1
  N  N84  1  0.87918616  0.15749083  0.72343610  1
  N  N85  1  0.62105662  0.84172272  0.22318848  1
  N  N86  1  0.12569881  0.83929486  0.27208662  1
  N  N87  1  0.37507595  0.16086732  0.77179089  1
  N  N88  1  0.78057444  0.11469124  0.79315794  1
  N  N89  1  0.72091375  0.88449558  0.29228318  1
  N  N90  1  0.22320256  0.88321481  0.20236553  1
  N  N91  1  0.27745917  0.11718514  0.70208479  1
