# generated using pymatgen
data_Mn3VH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11942565
_cell_length_b   10.13708181
_cell_length_c   12.56156893
_cell_angle_alpha   90.03480893
_cell_angle_beta   89.98740220
_cell_angle_gamma   106.44561591
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3VH28(C7N8)4
_chemical_formula_sum   'Mn3 V1 H28 C28 N32'
_cell_volume   991.61005946
_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
  V  V0  1  0.15709131  0.12742041  0.55373660  1
  Mn  Mn1  1  0.33941070  0.86535195  0.05285685  1
  Mn  Mn2  1  0.83551405  0.86411772  0.44374849  1
  Mn  Mn3  1  0.66172706  0.13202695  0.94846191  1
  H  H4  1  0.11169020  0.44932609  0.58050825  1
  H  H5  1  0.38424143  0.54991679  0.08016637  1
  H  H6  1  0.88394177  0.54988878  0.41975340  1
  H  H7  1  0.61393967  0.44898949  0.92102840  1
  H  H8  1  0.18607696  0.64885364  0.46068617  1
  H  H9  1  0.31073699  0.34959647  0.96000397  1
  H  H10  1  0.81152160  0.34975380  0.53960234  1
  H  H11  1  0.68753647  0.64967243  0.04075292  1
  H  H12  1  0.38730936  0.65294296  0.30446995  1
  H  H13  1  0.11147812  0.34553930  0.80365934  1
  H  H14  1  0.61209527  0.34554962  0.69642549  1
  H  H15  1  0.88945281  0.65495436  0.19648281  1
  H  H16  1  0.50207231  0.44959537  0.27948658  1
  H  H17  1  0.99710268  0.54970749  0.77799150  1
  H  H18  1  0.49761732  0.54969259  0.72231477  1
  H  H19  1  0.00417304  0.45135261  0.22172262  1
  H  H20  1  0.52464089  0.22824515  0.34636396  1
  H  H21  1  0.97269030  0.76842325  0.84464901  1
  H  H22  1  0.47274294  0.76774003  0.65595747  1
  H  H23  1  0.02872664  0.23207055  0.15580593  1
  H  H24  1  0.49962309  0.00545712  0.37772277  1
  H  H25  1  0.99955623  0.99569762  0.87805628  1
  H  H26  1  0.49823306  0.99514296  0.62272872  1
  H  H27  1  0.00228894  0.00512840  0.12303173  1
  H  H28  1  0.33121361  0.90122272  0.45713780  1
  H  H29  1  0.16964922  0.09653414  0.95814074  1
  H  H30  1  0.66698232  0.09642106  0.54236565  1
  H  H31  1  0.83238374  0.90367827  0.04305410  1
  C  C32  1  0.19176438  0.44817987  0.51082587  1
  C  C33  1  0.30427232  0.55023079  0.01046382  1
  C  C34  1  0.80441161  0.55011887  0.48972337  1
  C  C35  1  0.69476717  0.44914991  0.99041850  1
  C  C36  1  0.23755516  0.56267636  0.44417994  1
  C  C37  1  0.25937977  0.43577034  0.94347928  1
  C  C38  1  0.75994500  0.43569525  0.55665168  1
  C  C39  1  0.73970350  0.56389828  0.05712498  1
  C  C40  1  0.34939349  0.56530352  0.35834935  1
  C  C41  1  0.14845586  0.43328950  0.85737954  1
  C  C42  1  0.64913696  0.43331564  0.64275422  1
  C  C43  1  0.85154959  0.56706041  0.14281074  1
  C  C44  1  0.41381826  0.45409257  0.34380603  1
  C  C45  1  0.08397291  0.54449038  0.84290197  1
  C  C46  1  0.58468764  0.54454773  0.65745925  1
  C  C47  1  0.91642505  0.45603356  0.15719541  1
  C  C48  1  0.35937978  0.34008785  0.41263143  1
  C  C49  1  0.13720145  0.65780277  0.91234634  1
  C  C50  1  0.63785629  0.65791009  0.58817004  1
  C  C51  1  0.86314233  0.34239382  0.08807824  1
  C  C52  1  0.42121917  0.22206414  0.40386985  1
  C  C53  1  0.07547973  0.77634055  0.90294927  1
  C  C54  1  0.57556918  0.77626864  0.59751368  1
  C  C55  1  0.92559219  0.22418595  0.09769259  1
  C  C56  1  0.43428019  -0.00191965  0.45518405  1
  C  C57  1  0.06513017  1.00065509  0.95526541  1
  C  C58  1  0.56331108  1.00005471  0.54536502  1
  C  C59  1  0.93680083  -0.00042736  0.04577966  1
  N  N60  1  0.24356362  0.33453974  0.49372547  1
  N  N61  1  0.25170854  0.66346635  0.99360477  1
  N  N62  1  0.75283902  0.66358227  0.50725811  1
  N  N63  1  0.74804108  0.33626664  0.00699575  1
  N  N64  1  0.35581319  0.11221523  0.46224166  1
  N  N65  1  0.14136504  0.88526671  0.96076344  1
  N  N66  1  0.64055976  0.88529320  0.53974827  1
  N  N67  1  0.85999455  0.11456947  0.04053854  1
  N  N68  1  0.04060242  0.92232052  0.57436368  1
  N  N69  1  0.46649521  0.08383220  0.07433449  1
  N  N70  1  0.98222471  0.09129358  0.42918056  1
  N  N71  1  0.53204890  0.91485168  0.92625477  1
  N  N72  1  0.09811795  0.83624230  0.61583984  1
  N  N73  1  0.40644985  0.16816584  0.11523263  1
  N  N74  1  0.91871391  0.17483464  0.38932392  1
  N  N75  1  0.59208111  0.83023249  0.88565432  1
  N  N76  1  0.15110701  0.75007516  0.65005418  1
  N  N77  1  0.34653922  0.25116607  0.14931838  1
  N  N78  1  0.84941609  0.24933966  0.35203305  1
  N  N79  1  0.65392207  0.74853227  0.85138022  1
  N  N80  1  0.97839436  0.19710646  0.64719851  1
  N  N81  1  0.52766075  0.79917272  0.15023477  1
  N  N82  1  0.03169137  0.80100629  0.35117577  1
  N  N83  1  0.45808686  0.19561990  0.84450454  1
  N  N84  1  0.88309421  0.15739951  0.72049488  1
  N  N85  1  0.62181099  0.84168902  0.22274952  1
  N  N86  1  0.12240415  0.84120597  0.27662591  1
  N  N87  1  0.37026015  0.15959501  0.76928659  1
  N  N88  1  0.78464915  0.12056523  0.79032254  1
  N  N89  1  0.72180067  0.88654473  0.29134262  1
  N  N90  1  0.21917261  0.88422735  0.20626394  1
  N  N91  1  0.28171728  0.13051838  0.69272475  1
