# generated using pymatgen
data_Mn3NiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11913989
_cell_length_b   10.13493657
_cell_length_c   12.56177200
_cell_angle_alpha   90.03043126
_cell_angle_beta   89.99197869
_cell_angle_gamma   106.43427598
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3NiH28(C7N8)4
_chemical_formula_sum   'Mn3 Ni1 H28 C28 N32'
_cell_volume   991.43928992
_cell_formula_units_Z   1
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  0.16101888  0.13443437  0.55490969  1
  Mn  Mn1  1  0.33981847  0.86553190  0.05378332  1
  Mn  Mn2  1  0.84304819  0.86907606  0.44752827  1
  Mn  Mn3  1  0.65971580  0.13414233  0.94384335  1
  H  H4  1  0.11240748  0.44888011  0.57880780  1
  H  H5  1  0.38397550  0.54942665  0.07916866  1
  H  H6  1  0.88407939  0.54969853  0.42040958  1
  H  H7  1  0.61384991  0.44961928  0.92192511  1
  H  H8  1  0.18645233  0.64825486  0.46060853  1
  H  H9  1  0.31065643  0.34920687  0.95931435  1
  H  H10  1  0.81112281  0.34951524  0.53999206  1
  H  H11  1  0.68775535  0.65021669  0.04114455  1
  H  H12  1  0.38799581  0.65327318  0.30386548  1
  H  H13  1  0.11070228  0.34528695  0.80246437  1
  H  H14  1  0.61018853  0.34537873  0.69670489  1
  H  H15  1  0.88987854  0.65511454  0.19723245  1
  H  H16  1  0.50366922  0.44994064  0.27872694  1
  H  H17  1  0.99602944  0.54897787  0.77747430  1
  H  H18  1  0.49611689  0.54916938  0.72210703  1
  H  H19  1  0.00510261  0.45177064  0.22221239  1
  H  H20  1  0.52690176  0.23175075  0.34409721  1
  H  H21  1  0.97397938  0.76893080  0.84248309  1
  H  H22  1  0.47271534  0.76831933  0.65643646  1
  H  H23  1  0.02670283  0.23180212  0.15728403  1
  H  H24  1  0.50244184  0.00775358  0.37735537  1
  H  H25  1  0.99723098  0.99366623  0.87750140  1
  H  H26  1  0.49649987  0.99376252  0.62251248  1
  H  H27  1  0.00373977  0.00733423  0.12272958  1
  H  H28  1  0.33232116  0.90351082  0.45587342  1
  H  H29  1  0.16812638  0.09562796  0.95572538  1
  H  H30  1  0.66692096  0.09588644  0.54379224  1
  H  H31  1  0.83310164  0.90494617  0.04436386  1
  C  C32  1  0.19506712  0.44764295  0.51048922  1
  C  C33  1  0.30300449  0.54970586  0.00992473  1
  C  C34  1  0.80340591  0.55000431  0.48982279  1
  C  C35  1  0.69579126  0.44993707  0.99080225  1
  C  C36  1  0.23904310  0.56264030  0.44375898  1
  C  C37  1  0.25849854  0.43511012  0.94293451  1
  C  C38  1  0.75908303  0.43540773  0.55674314  1
  C  C39  1  0.74061216  0.56474409  0.05761269  1
  C  C40  1  0.35088738  0.56588676  0.35805417  1
  C  C41  1  0.14747271  0.43262751  0.85685493  1
  C  C42  1  0.64789371  0.43298693  0.64271845  1
  C  C43  1  0.85264347  0.56752148  0.14319545  1
  C  C44  1  0.41641628  0.45518016  0.34352770  1
  C  C45  1  0.08278764  0.54382051  0.84249413  1
  C  C46  1  0.58314663  0.54413390  0.65715744  1
  C  C47  1  0.91770781  0.45651012  0.15743828  1
  C  C48  1  0.36385333  0.34181301  0.41308905  1
  C  C49  1  0.13567266  0.65717255  0.91199302  1
  C  C50  1  0.63604456  0.65745593  0.58767693  1
  C  C51  1  0.86432120  0.34301302  0.08809415  1
  C  C52  1  0.42503257  0.22256567  0.40300533  1
  C  C53  1  0.07490534  0.77616412  0.90202702  1
  C  C54  1  0.57464530  0.77624966  0.59745619  1
  C  C55  1  0.92545640  0.22408967  0.09786335  1
  C  C56  1  0.43555961  -0.00003437  0.45432479  1
  C  C57  1  0.06393374  0.99963496  0.95440742  1
  C  C58  1  0.56302484  0.99971374  0.54559879  1
  C  C59  1  0.93710918  0.00106030  0.04578008  1
  N  N60  1  0.25188511  0.33660423  0.49521917  1
  N  N61  1  0.24962668  0.66260730  0.99356695  1
  N  N62  1  0.75038837  0.66298806  0.50635816  1
  N  N63  1  0.74997873  0.33742519  0.00673879  1
  N  N64  1  0.35861670  0.11449781  0.46048706  1
  N  N65  1  0.14003352  0.88424719  0.96087158  1
  N  N66  1  0.63988290  0.88491615  0.53948565  1
  N  N67  1  0.86037864  0.11604487  0.03910469  1
  N  N68  1  0.03058843  0.91787510  0.57542600  1
  N  N69  1  0.46880525  0.08543084  0.07343903  1
  N  N70  1  0.97203426  0.08500757  0.42540544  1
  N  N71  1  0.53063913  0.91393775  0.92673692  1
  N  N72  1  0.09368457  0.83438518  0.61459822  1
  N  N73  1  0.40958748  0.17048215  0.11412498  1
  N  N74  1  0.91352501  0.17205093  0.38788167  1
  N  N75  1  0.59006049  0.82891103  0.88626469  1
  N  N76  1  0.15186664  0.74953686  0.64722111  1
  N  N77  1  0.34844065  0.25260849  0.14835372  1
  N  N78  1  0.84971673  0.25225536  0.35285864  1
  N  N79  1  0.65161827  0.74695696  0.85210008  1
  N  N80  1  0.97040609  0.20073114  0.64951162  1
  N  N81  1  0.52812469  0.79886934  0.15071556  1
  N  N82  1  0.03067528  0.80070028  0.35049801  1
  N  N83  1  0.46828822  0.19972008  0.84598949  1
  N  N84  1  0.87917364  0.15808833  0.72306583  1
  N  N85  1  0.62380665  0.83959026  0.22303526  1
  N  N86  1  0.12444298  0.84038892  0.27730187  1
  N  N87  1  0.37495132  0.16144773  0.77197857  1
  N  N88  1  0.77982538  0.11423926  0.79238658  1
  N  N89  1  0.72340655  0.88415719  0.29171104  1
  N  N90  1  0.22176860  0.88450044  0.20733601  1
  N  N91  1  0.27649436  0.11585037  0.70301778  1
