# generated using pymatgen
data_MnNiH14(C7N8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11799385
_cell_length_b   10.13344002
_cell_length_c   12.55944922
_cell_angle_alpha   90.02645019
_cell_angle_beta   89.99458753
_cell_angle_gamma   106.43439370
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH14(C7N8)2
_chemical_formula_sum   'Mn2 Ni2 H28 C28 N32'
_cell_volume   990.96912751
_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  0.15865918  0.13216196  0.55268515  1
  Mn  Mn1  1  0.34015641  0.86555795  0.05680261  1
  Ni  Ni2  1  0.84124226  0.86734287  0.44676530  1
  Mn  Mn3  1  0.65975156  0.13424445  0.94370815  1
  H  H4  1  0.11225333  0.44893496  0.57869026  1
  H  H5  1  0.38405947  0.54911812  0.07910454  1
  H  H6  1  0.88556360  0.54994863  0.42021490  1
  H  H7  1  0.61398412  0.44982318  0.92202197  1
  H  H8  1  0.18635193  0.64838255  0.46065516  1
  H  H9  1  0.31083800  0.34915947  0.95937087  1
  H  H10  1  0.81195876  0.35095393  0.53869584  1
  H  H11  1  0.68770872  0.65033650  0.04143172  1
  H  H12  1  0.38922314  0.65384163  0.30428394  1
  H  H13  1  0.11067496  0.34527617  0.80235538  1
  H  H14  1  0.61084142  0.34655884  0.69580655  1
  H  H15  1  0.88986791  0.65529142  0.19752544  1
  H  H16  1  0.50409322  0.45018526  0.27890392  1
  H  H17  1  0.99603930  0.54906213  0.77733671  1
  H  H18  1  0.49684546  0.55063097  0.72130897  1
  H  H19  1  0.00532300  0.45196226  0.22237813  1
  H  H20  1  0.52706186  0.23182901  0.34412060  1
  H  H21  1  0.97472399  0.76920800  0.84239805  1
  H  H22  1  0.47351124  0.76878010  0.65556906  1
  H  H23  1  0.02622503  0.23144901  0.15772632  1
  H  H24  1  0.50264018  0.00753176  0.37705093  1
  H  H25  1  0.99707931  0.99331961  0.87764523  1
  H  H26  1  0.49797957  0.99314926  0.62202267  1
  H  H27  1  0.00370464  0.00730272  0.12300014  1
  H  H28  1  0.33284372  0.90339843  0.45610018  1
  H  H29  1  0.16804535  0.09544344  0.95584788  1
  H  H30  1  0.66799966  0.09674010  0.54281499  1
  H  H31  1  0.83286345  0.90487967  0.04485673  1
  C  C32  1  0.19476719  0.44760731  0.51030009  1
  C  C33  1  0.30291283  0.54942973  0.00990927  1
  C  C34  1  0.80391172  0.55176989  0.48892754  1
  C  C35  1  0.69592526  0.45007354  0.99092371  1
  C  C36  1  0.23884612  0.56271277  0.44367952  1
  C  C37  1  0.25846109  0.43489035  0.94279121  1
  C  C38  1  0.76006741  0.43691974  0.55580567  1
  C  C39  1  0.74066512  0.56486418  0.05779376  1
  C  C40  1  0.35102820  0.56600662  0.35812167  1
  C  C41  1  0.14741109  0.43266768  0.85672980  1
  C  C42  1  0.64879604  0.43418472  0.64176213  1
  C  C43  1  0.85270749  0.56765753  0.14340550  1
  C  C44  1  0.41641243  0.45523202  0.34354595  1
  C  C45  1  0.08280259  0.54393034  0.84240193  1
  C  C46  1  0.58387250  0.54519668  0.65638852  1
  C  C47  1  0.91779578  0.45662271  0.15763187  1
  C  C48  1  0.36365375  0.34173305  0.41304935  1
  C  C49  1  0.13581405  0.65718871  0.91208093  1
  C  C50  1  0.63629281  0.65839893  0.58657960  1
  C  C51  1  0.86441149  0.34306515  0.08826521  1
  C  C52  1  0.42505545  0.22249300  0.40300252  1
  C  C53  1  0.07527974  0.77642623  0.90220148  1
  C  C54  1  0.57520258  0.77779702  0.59654452  1
  C  C55  1  0.92533058  0.22400102  0.09808440  1
  C  C56  1  0.43600893  -0.00007457  0.45407437  1
  C  C57  1  0.06377877  0.99941540  0.95459514  1
  C  C58  1  0.56459608  1.00036175  0.54501740  1
  C  C59  1  0.93696474  0.00101325  0.04604653  1
  N  N60  1  0.25123126  0.33638402  0.49490986  1
  N  N61  1  0.24932939  0.66226257  0.99387452  1
  N  N62  1  0.74813369  0.66330867  0.50445651  1
  N  N63  1  0.75019316  0.33755325  0.00680758  1
  N  N64  1  0.35861992  0.11413436  0.46012936  1
  N  N65  1  0.14001881  0.88414030  0.96140742  1
  N  N66  1  0.64158217  0.88591446  0.53914472  1
  N  N67  1  0.86041991  0.11610094  0.03910918  1
  N  N68  1  0.02887547  0.91890101  0.57577708  1
  N  N69  1  0.46948687  0.08600028  0.07362912  1
  N  N70  1  0.97117435  0.08125495  0.42406211  1
  N  N71  1  0.53060826  0.91382537  0.92724782  1
  N  N72  1  0.08957185  0.83271538  0.61234131  1
  N  N73  1  0.41005061  0.17102521  0.11414103  1
  N  N74  1  0.91010012  0.16713342  0.38735079  1
  N  N75  1  0.58984470  0.82874480  0.88663193  1
  N  N76  1  0.15072237  0.74962954  0.64562376  1
  N  N77  1  0.34836022  0.25287498  0.14832738  1
  N  N78  1  0.84873378  0.24997239  0.35381103  1
  N  N79  1  0.65126946  0.74686754  0.85219921  1
  N  N80  1  0.96977216  0.20042815  0.64920154  1
  N  N81  1  0.53047809  0.79925466  0.15423581  1
  N  N82  1  0.03058998  0.79903210  0.35106220  1
  N  N83  1  0.46876692  0.19992432  0.84617827  1
  N  N84  1  0.87890180  0.15806012  0.72298882  1
  N  N85  1  0.62554243  0.83840419  0.22744749  1
  N  N86  1  0.12146248  0.84146770  0.27729019  1
  N  N87  1  0.37499245  0.16108383  0.77236039  1
  N  N88  1  0.78001676  0.11446485  0.79259277  1
  N  N89  1  0.72570273  0.88454280  0.29536115  1
  N  N90  1  0.22037642  0.88571390  0.20783532  1
  N  N91  1  0.27619279  0.11550708  0.70361924  1
