# generated using pymatgen
data_Mn2VNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11808632
_cell_length_b   10.13493251
_cell_length_c   12.55930089
_cell_angle_alpha   90.03013213
_cell_angle_beta   89.99118392
_cell_angle_gamma   106.44412524
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VNiH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Ni1 H28 C28 N32'
_cell_volume   991.06496583
_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  0.15688084  0.13114075  0.55196024  1
  V  V1  1  0.34421508  0.87176868  0.05782437  1
  Ni  Ni2  1  0.84656725  0.87142609  0.45217068  1
  Mn  Mn3  1  0.66393227  0.13542148  0.94378003  1
  H  H4  1  0.11384146  0.44907051  0.57913189  1
  H  H5  1  0.38629568  0.54928185  0.08086058  1
  H  H6  1  0.88537226  0.55093827  0.41943504  1
  H  H7  1  0.61447071  0.44959163  0.92152709  1
  H  H8  1  0.18742343  0.65000487  0.45937643  1
  H  H9  1  0.31159165  0.34972464  0.96060523  1
  H  H10  1  0.81196444  0.35153211  0.53836111  1
  H  H11  1  0.68756522  0.65063143  0.04139004  1
  H  H12  1  0.38907736  0.65493493  0.30399091  1
  H  H13  1  0.11166014  0.34699119  0.80399013  1
  H  H14  1  0.61260938  0.34735931  0.69565852  1
  H  H15  1  0.88889943  0.65534792  0.19730333  1
  H  H16  1  0.50428226  0.45117687  0.27856973  1
  H  H17  1  0.99822888  0.55116356  0.77922943  1
  H  H18  1  0.49806104  0.55129410  0.72105638  1
  H  H19  1  0.00458234  0.45190311  0.22221148  1
  H  H20  1  0.52850258  0.23277783  0.34421404  1
  H  H21  1  0.97724145  0.77326474  0.84587461  1
  H  H22  1  0.47217747  0.76871695  0.65471306  1
  H  H23  1  0.02668262  0.23261628  0.15780092  1
  H  H24  1  0.50271149  0.00518152  0.37641913  1
  H  H25  1  1.00073312  0.99398026  0.87861830  1
  H  H26  1  0.49905725  0.99477054  0.62185794  1
  H  H27  1  0.00268622  0.00556643  0.12404970  1
  H  H28  1  0.33385479  0.90331914  0.45639950  1
  H  H29  1  0.16908866  0.09817231  0.95773046  1
  H  H30  1  0.66872154  0.09736110  0.54187462  1
  H  H31  1  0.83408852  0.90406881  0.04409272  1
  C  C32  1  0.19442427  0.44916408  0.50961402  1
  C  C33  1  0.30674722  0.55082917  0.01101082  1
  C  C34  1  0.80454750  0.55272920  0.48855181  1
  C  C35  1  0.69508252  0.44992255  0.99107910  1
  C  C36  1  0.23934256  0.56399031  0.44303994  1
  C  C37  1  0.26077019  0.43631313  0.94421306  1
  C  C38  1  0.76053874  0.43770154  0.55523015  1
  C  C39  1  0.73961256  0.56473421  0.05776233  1
  C  C40  1  0.35128318  0.56697245  0.35743565  1
  C  C41  1  0.14960196  0.43436766  0.85819325  1
  C  C42  1  0.64974211  0.43472346  0.64143461  1
  C  C43  1  0.85152370  0.56771372  0.14334622  1
  C  C44  1  0.41636149  0.45602751  0.34301644  1
  C  C45  1  0.08601830  0.54606860  0.84366504  1
  C  C46  1  0.58478396  0.54565897  0.65608513  1
  C  C47  1  0.91654262  0.45668934  0.15783799  1
  C  C48  1  0.36282936  0.34227848  0.41198979  1
  C  C49  1  0.14065202  0.65994683  0.91274886  1
  C  C50  1  0.63695268  0.65897156  0.58637228  1
  C  C51  1  0.86292957  0.34280500  0.08894055  1
  C  C52  1  0.42518183  0.22389201  0.40245524  1
  C  C53  1  0.07950491  0.77838948  0.90410677  1
  C  C54  1  0.57495469  0.77776159  0.59644845  1
  C  C55  1  0.92492473  0.22427210  0.09859384  1
  C  C56  1  0.43705495  -0.00003859  0.45363015  1
  C  C57  1  0.06612067  1.00125912  0.95611425  1
  C  C58  1  0.56542430  1.00101942  0.54474148  1
  C  C59  1  0.93746853  0.00064199  0.04669317  1
  N  N60  1  0.24716687  0.33607461  0.49268944  1
  N  N61  1  0.25549794  0.66473361  0.99419792  1
  N  N62  1  0.75025361  0.66491254  0.50468279  1
  N  N63  1  0.74753645  0.33679625  0.00822399  1
  N  N64  1  0.35946887  0.11449470  0.45969346  1
  N  N65  1  0.14408577  0.88699172  0.96369157  1
  N  N66  1  0.64265806  0.88651958  0.53979976  1
  N  N67  1  0.86053949  0.11546427  0.04036194  1
  N  N68  1  0.02904694  0.91611822  0.57517835  1
  N  N69  1  0.45949221  0.07748188  0.07510019  1
  N  N70  1  0.96713174  0.07889161  0.42389856  1
  N  N71  1  0.51782653  0.90714514  0.93147073  1
  N  N72  1  0.08713638  0.82847468  0.61232011  1
  N  N73  1  0.40105441  0.16337527  0.11611781  1
  N  N74  1  0.90366192  0.16239321  0.38485548  1
  N  N75  1  0.58075613  0.82357570  0.89120518  1
  N  N76  1  0.15051193  0.74778470  0.64677195  1
  N  N77  1  0.35005096  0.25092795  0.14990149  1
  N  N78  1  0.84622260  0.24768574  0.35231521  1
  N  N79  1  0.65014565  0.74996876  0.85233745  1
  N  N80  1  0.96996285  0.19808629  0.64944152  1
  N  N81  1  0.51873760  0.80268058  0.14872710  1
  N  N82  1  0.04251976  0.80248754  0.34574889  1
  N  N83  1  0.46910549  0.19906177  0.85050769  1
  N  N84  1  0.87740653  0.15754798  0.72299220  1
  N  N85  1  0.61567578  0.84196043  0.22184176  1
  N  N86  1  0.12927152  0.84218467  0.27085201  1
  N  N87  1  0.37773592  0.15884339  0.77617146  1
  N  N88  1  0.77917131  0.11377814  0.79257742  1
  N  N89  1  0.71770272  0.87910903  0.28913588  1
  N  N90  1  0.21861894  0.87280365  0.19446789  1
  N  N91  1  0.27986614  0.11635851  0.70630761  1
