# generated using pymatgen
data_MnNiH14(C7N8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11774988
_cell_length_b   10.13332118
_cell_length_c   12.55878801
_cell_angle_alpha   90.03433739
_cell_angle_beta   89.98805727
_cell_angle_gamma   106.43593707
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH14(C7N8)2
_chemical_formula_sum   'Mn2 Ni2 H28 C28 N32'
_cell_volume   990.86760968
_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  0.16153947  0.13455034  0.55739061  1
  Mn  Mn1  1  0.34330025  0.86949031  0.05267711  1
  Mn  Mn2  1  0.84363215  0.86933020  0.44763392  1
  Ni  Ni3  1  0.66153036  0.13466131  0.94262381  1
  H  H4  1  0.11235258  0.44902091  0.57899938  1
  H  H5  1  0.38391579  0.54915731  0.07909068  1
  H  H6  1  0.88385048  0.54944872  0.42041914  1
  H  H7  1  0.61246421  0.44936222  0.92154659  1
  H  H8  1  0.18642245  0.64823516  0.46061803  1
  H  H9  1  0.31075670  0.34896396  0.95928765  1
  H  H10  1  0.81115506  0.34932365  0.54032689  1
  H  H11  1  0.68700630  0.64868598  0.03991724  1
  H  H12  1  0.38793093  0.65305099  0.30387998  1
  H  H13  1  0.10918445  0.34460794  0.80293418  1
  H  H14  1  0.61018851  0.34517764  0.69690209  1
  H  H15  1  0.88931263  0.65374865  0.19625332  1
  H  H16  1  0.50323830  0.44953231  0.27879084  1
  H  H17  1  0.99559702  0.54881491  0.77763638  1
  H  H18  1  0.49613368  0.54915302  0.72227665  1
  H  H19  1  0.00409301  0.44996891  0.22122754  1
  H  H20  1  0.52610695  0.23136582  0.34423634  1
  H  H21  1  0.97391107  0.76853999  0.84264884  1
  H  H22  1  0.47307792  0.76856631  0.65672063  1
  H  H23  1  0.02583818  0.23140829  0.15605683  1
  H  H24  1  0.50217424  0.00783430  0.37759824  1
  H  H25  1  0.99731642  0.99412276  0.87697732  1
  H  H26  1  0.49695942  0.99404342  0.62286897  1
  H  H27  1  0.00195107  0.00776640  0.12227449  1
  H  H28  1  0.33240742  0.90348167  0.45627046  1
  H  H29  1  0.16753191  0.09598072  0.95587037  1
  H  H30  1  0.66716639  0.09608042  0.54417369  1
  H  H31  1  0.83219566  0.90379081  0.04325556  1
  C  C32  1  0.19488236  0.44758190  0.51065774  1
  C  C33  1  0.30327086  0.54961687  0.00966848  1
  C  C34  1  0.80337503  0.54989097  0.48993961  1
  C  C35  1  0.69516399  0.44794437  0.98977630  1
  C  C36  1  0.23887050  0.56252311  0.44383630  1
  C  C37  1  0.25869941  0.43488939  0.94274830  1
  C  C38  1  0.75909852  0.43527448  0.55688197  1
  C  C39  1  0.73948811  0.56299387  0.05659277  1
  C  C40  1  0.35067453  0.56568566  0.35810794  1
  C  C41  1  0.14730080  0.43240200  0.85689308  1
  C  C42  1  0.64792855  0.43283502  0.64287583  1
  C  C43  1  0.85158955  0.56621310  0.14213580  1
  C  C44  1  0.41598577  0.45482469  0.34360375  1
  C  C45  1  0.08286040  0.54373278  0.84243910  1
  C  C46  1  0.58326242  0.54406637  0.65737037  1
  C  C47  1  0.91665299  0.45523181  0.15654572  1
  C  C48  1  0.36322699  0.34150990  0.41324696  1
  C  C49  1  0.13618633  0.65723193  0.91189179  1
  C  C50  1  0.63621832  0.65745139  0.58789724  1
  C  C51  1  0.86350681  0.34181116  0.08692334  1
  C  C52  1  0.42438620  0.22226600  0.40326847  1
  C  C53  1  0.07521325  0.77628407  0.90207115  1
  C  C54  1  0.57492505  0.77635167  0.59765919  1
  C  C55  1  0.92444663  0.22245662  0.09683056  1
  C  C56  1  0.43555530  0.00000453  0.45468634  1
  C  C57  1  0.06347820  0.99989419  0.95400505  1
  C  C58  1  0.56332172  0.99986193  0.54589516  1
  C  C59  1  0.93555764  0.00016290  0.04513075  1
  N  N60  1  0.25143323  0.33643695  0.49551122  1
  N  N61  1  0.25047181  0.66269593  0.99319566  1
  N  N62  1  0.75056172  0.66297423  0.50656199  1
  N  N63  1  0.75160500  0.33674559  0.00476263  1
  N  N64  1  0.35825917  0.11438507  0.46101978  1
  N  N65  1  0.14010471  0.88492385  0.96026359  1
  N  N66  1  0.64017892  0.88502435  0.53964681  1
  N  N67  1  0.85841514  0.11463191  0.03891787  1
  N  N68  1  0.03120251  0.91871554  0.57599844  1
  N  N69  1  0.47243230  0.08565542  0.07354243  1
  N  N70  1  0.97231838  0.08546327  0.42648345  1
  N  N71  1  0.53142065  0.91839479  0.92450308  1
  N  N72  1  0.09393622  0.83476240  0.61475811  1
  N  N73  1  0.41372298  0.17228424  0.11161240  1
  N  N74  1  0.91371303  0.17200893  0.38827286  1
  N  N75  1  0.59424142  0.83449828  0.88562637  1
  N  N76  1  0.15183925  0.74955016  0.64708398  1
  N  N77  1  0.34984700  0.25252880  0.14671102  1
  N  N78  1  0.84986282  0.25214492  0.35305887  1
  N  N79  1  0.65213176  0.74926595  0.85321826  1
  N  N80  1  0.96736798  0.19999867  0.65351801  1
  N  N81  1  0.52887777  0.80033596  0.15025825  1
  N  N82  1  0.03056443  0.80109914  0.35048301  1
  N  N83  1  0.46794279  0.20026175  0.84643491  1
  N  N84  1  0.87713920  0.15938404  0.72824874  1
  N  N85  1  0.62387037  0.84003695  0.22302237  1
  N  N86  1  0.12421536  0.84062044  0.27710819  1
  N  N87  1  0.37758646  0.15967230  0.77175473  1
  N  N88  1  0.77721038  0.11448594  0.79707636  1
  N  N89  1  0.72297967  0.88331948  0.29215934  1
  N  N90  1  0.22176793  0.88426019  0.20727149  1
  N  N91  1  0.27741946  0.11519282  0.70296578  1
