# generated using pymatgen
data_Mn2VNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11737601
_cell_length_b   10.13524545
_cell_length_c   12.55691564
_cell_angle_alpha   90.03992870
_cell_angle_beta   89.98161022
_cell_angle_gamma   106.44890220
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VNiH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Ni1 H28 C28 N32'
_cell_volume   990.79614050
_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
  Mn  Mn0  1  0.16152837  0.13196383  0.55123748  1
  Ni  Ni1  1  0.33472507  0.86210334  0.05964109  1
  Mn  Mn2  1  0.84093492  0.86549022  0.44402849  1
  V  V3  1  0.65531184  0.12414504  0.94751528  1
  H  H4  1  0.11416406  0.44882697  0.57970756  1
  H  H5  1  0.38570139  0.55216774  0.08118563  1
  H  H6  1  0.88434405  0.54957016  0.41898857  1
  H  H7  1  0.61126678  0.45019679  0.91996170  1
  H  H8  1  0.18675166  0.64924086  0.45971664  1
  H  H9  1  0.31211100  0.35152505  0.96168641  1
  H  H10  1  0.81101648  0.34955958  0.53980110  1
  H  H11  1  0.68679567  0.64935236  0.03931532  1
  H  H12  1  0.38806887  0.65440384  0.30342915  1
  H  H13  1  0.11245244  0.34663031  0.80507148  1
  H  H14  1  0.61182539  0.34586355  0.69594074  1
  H  H15  1  0.89051992  0.65449673  0.19458144  1
  H  H16  1  0.50309452  0.45092758  0.27798620  1
  H  H17  1  0.99898541  0.55145231  0.77873939  1
  H  H18  1  0.49829298  0.55062143  0.72191088  1
  H  H19  1  0.00291418  0.44971002  0.22003985  1
  H  H20  1  0.52868743  0.23159267  0.34437831  1
  H  H21  1  0.97445791  0.76900092  0.84537445  1
  H  H22  1  0.47313507  0.76847543  0.65434508  1
  H  H23  1  0.02503104  0.22913512  0.15352916  1
  H  H24  1  0.50188364  0.00449078  0.37642597  1
  H  H25  1  1.00224356  0.99586041  0.87777229  1
  H  H26  1  0.49992759  0.99597404  0.62151728  1
  H  H27  1  -0.00179680  0.00389221  0.12289506  1
  H  H28  1  0.33203714  0.90300284  0.45641607  1
  H  H29  1  0.16915496  0.09766733  0.95996202  1
  H  H30  1  0.66966858  0.09659190  0.54110592  1
  H  H31  1  0.83134943  0.90069849  0.04152221  1
  C  C32  1  0.19437557  0.44886825  0.50997393  1
  C  C33  1  0.30510064  0.55271398  0.01178699  1
  C  C34  1  0.80481315  0.55015762  0.48895680  1
  C  C35  1  0.69085202  0.44801256  0.98978565  1
  C  C36  1  0.23885354  0.56343817  0.44311266  1
  C  C37  1  0.26098451  0.43773087  0.94467501  1
  C  C38  1  0.75987807  0.43591917  0.55622148  1
  C  C39  1  0.73759356  0.56289698  0.05614991  1
  C  C40  1  0.35037164  0.56647110  0.35715572  1
  C  C41  1  0.15020948  0.43472638  0.85860397  1
  C  C42  1  0.64925236  0.43385270  0.64244408  1
  C  C43  1  0.85020810  0.56584864  0.14164311  1
  C  C44  1  0.41527361  0.45541020  0.34261610  1
  C  C45  1  0.08591319  0.54602814  0.84368678  1
  C  C46  1  0.58515580  0.54533324  0.65695299  1
  C  C47  1  0.91363216  0.45413228  0.15627405  1
  C  C48  1  0.36229549  0.34179165  0.41179188  1
  C  C49  1  0.13858259  0.65932801  0.91336981  1
  C  C50  1  0.63840612  0.65836540  0.58725622  1
  C  C51  1  0.85820807  0.33965012  0.08769677  1
  C  C52  1  0.42495462  0.22364709  0.40214827  1
  C  C53  1  0.07688055  0.77840107  0.90389417  1
  C  C54  1  0.57642163  0.77688814  0.59628057  1
  C  C55  1  0.92087489  0.22190972  0.09629586  1
  C  C56  1  0.43624441  -0.00089384  0.45364717  1
  C  C57  1  0.06598052  1.00114878  0.95566298  1
  C  C58  1  0.56528169  1.00060274  0.54420432  1
  C  C59  1  0.93453147  -0.00258490  0.04494132  1
  N  N60  1  0.24742120  0.33582272  0.49313371  1
  N  N61  1  0.25095171  0.66484239  0.99536011  1
  N  N62  1  0.75285706  0.66365714  0.50584856  1
  N  N63  1  0.74156771  0.33390475  0.00713891  1
  N  N64  1  0.35934608  0.11393127  0.45914737  1
  N  N65  1  0.14354734  0.88667612  0.96120616  1
  N  N66  1  0.64216877  0.88557018  0.53834973  1
  N  N67  1  0.85603138  0.11152288  0.03842824  1
  N  N68  1  0.03234019  0.91525345  0.57319286  1
  N  N69  1  0.48399076  0.08935217  0.07211013  1
  N  N70  1  0.96666912  0.08405861  0.42532813  1
  N  N71  1  0.53547394  0.92125023  0.92697210  1
  N  N72  1  0.09238432  0.83100092  0.61429505  1
  N  N73  1  0.41653720  0.17051775  0.11153704  1
  N  N74  1  0.90639127  0.16828465  0.38452414  1
  N  N75  1  0.59195234  0.83384181  0.88674180  1
  N  N76  1  0.15400608  0.74941391  0.64894282  1
  N  N77  1  0.34525998  0.24513456  0.14691523  1
  N  N78  1  0.84574307  0.25079054  0.35043713  1
  N  N79  1  0.64958129  0.74982127  0.85305971  1
  N  N80  1  0.95608444  0.19447118  0.65617494  1
  N  N81  1  0.52909674  0.80124201  0.14824834  1
  N  N82  1  0.03373793  0.80270888  0.34460168  1
  N  N83  1  0.47771461  0.19643320  0.85335913  1
  N  N84  1  0.86896302  0.15797381  0.73159143  1
  N  N85  1  0.61881664  0.84270787  0.22284217  1
  N  N86  1  0.12443867  0.83911310  0.26939365  1
  N  N87  1  0.38350336  0.15750299  0.77945301  1
  N  N88  1  0.78076322  0.12922179  0.80836635  1
  N  N89  1  0.71649547  0.88322595  0.29341867  1
  N  N90  1  0.22088583  0.88218850  0.19906206  1
  N  N91  1  0.28757228  0.12415553  0.70787566  1
