# generated using pymatgen
data_Mn2VFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11696333
_cell_length_b   10.13775268
_cell_length_c   12.55507746
_cell_angle_alpha   90.02672094
_cell_angle_beta   90.00907929
_cell_angle_gamma   106.45482280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VFeH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Fe1 H28 C28 N32'
_cell_volume   990.81564906
_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
  Fe  Fe0  1  0.16522851  0.12412920  0.55601123  1
  Mn  Mn1  1  0.33730801  0.86573372  0.05562935  1
  Mn  Mn2  1  0.84142506  0.86627085  0.44812141  1
  V  V3  1  0.65716628  0.12684665  0.94332062  1
  H  H4  1  0.11252725  0.45019266  0.58066060  1
  H  H5  1  0.38435128  0.55027804  0.08069315  1
  H  H6  1  0.88486106  0.55093835  0.41872070  1
  H  H7  1  0.61071402  0.45021119  0.91884035  1
  H  H8  1  0.18548017  0.64829428  0.46110459  1
  H  H9  1  0.31136617  0.34959885  0.96047597  1
  H  H10  1  0.81227569  0.35048268  0.53910263  1
  H  H11  1  0.68551798  0.64880963  0.03926375  1
  H  H12  1  0.38746197  0.65264809  0.30455439  1
  H  H13  1  0.11203849  0.34515526  0.80414884  1
  H  H14  1  0.61268162  0.34615488  0.69528192  1
  H  H15  1  0.88782231  0.65285426  0.19463759  1
  H  H16  1  0.50056063  0.44800695  0.27932356  1
  H  H17  1  0.99887054  0.54999033  0.77748099  1
  H  H18  1  0.49895795  0.55062467  0.72171787  1
  H  H19  1  0.00041051  0.44814715  0.22007592  1
  H  H20  1  0.52687372  0.22935429  0.34814879  1
  H  H21  1  0.97301233  0.76750750  0.84479141  1
  H  H22  1  0.47076731  0.76749628  0.65305897  1
  H  H23  1  0.02361841  0.22792312  0.15231394  1
  H  H24  1  0.49735385  0.00411024  0.37744519  1
  H  H25  1  1.00238436  0.99760757  0.87648904  1
  H  H26  1  0.50334348  0.99835059  0.62265682  1
  H  H27  1  -0.00505013  0.00237380  0.12173059  1
  H  H28  1  0.33170414  0.90064651  0.45909509  1
  H  H29  1  0.16906012  0.09710064  0.95981495  1
  H  H30  1  0.67016738  0.09808301  0.53969425  1
  H  H31  1  0.82924416  0.89989027  0.03922004  1
  C  C32  1  0.19279800  0.44814490  0.51116715  1
  C  C33  1  0.30561753  0.55063566  0.01032870  1
  C  C34  1  0.80625480  0.55136648  0.48910495  1
  C  C35  1  0.69056167  0.44819178  0.98861522  1
  C  C36  1  0.23748251  0.56253066  0.44416066  1
  C  C37  1  0.26073945  0.43603408  0.94347876  1
  C  C38  1  0.76131966  0.43685051  0.55588680  1
  C  C39  1  0.73670657  0.56245921  0.05559483  1
  C  C40  1  0.34892577  0.56488639  0.35828355  1
  C  C41  1  0.14980557  0.43350654  0.85734054  1
  C  C42  1  0.65044141  0.43439147  0.64207223  1
  C  C43  1  0.84853258  0.56458062  0.14139582  1
  C  C44  1  0.41315606  0.45356282  0.34389511  1
  C  C45  1  0.08616059  0.54508767  0.84229360  1
  C  C46  1  0.58608924  0.54565719  0.65683918  1
  C  C47  1  0.91189617  0.45282547  0.15593832  1
  C  C48  1  0.35967155  0.34032711  0.41359968  1
  C  C49  1  0.13980203  0.65864504  0.91154508  1
  C  C50  1  0.63938520  0.65911136  0.58760477  1
  C  C51  1  0.85709095  0.33900672  0.08675648  1
  C  C52  1  0.42179085  0.22185926  0.40458883  1
  C  C53  1  0.07705796  0.77683364  0.90254733  1
  C  C54  1  0.57615896  0.77711346  0.59630014  1
  C  C55  1  0.91924271  0.22100701  0.09527547  1
  C  C56  1  0.43402290  -0.00225946  0.45553590  1
  C  C57  1  0.06492773  1.00109291  0.95466228  1
  C  C58  1  0.56612434  1.00201929  0.54460101  1
  C  C59  1  0.93227733  -0.00333029  0.04343994  1
  N  N60  1  0.24621204  0.33548350  0.49531596  1
  N  N61  1  0.25489225  0.66440257  0.99244213  1
  N  N62  1  0.75511722  0.66511152  0.50705621  1
  N  N63  1  0.74157360  0.33408029  0.00542003  1
  N  N64  1  0.35490215  0.11140999  0.46092054  1
  N  N65  1  0.14241237  0.88637876  0.95979562  1
  N  N66  1  0.64312578  0.88698535  0.53984699  1
  N  N67  1  0.85349713  0.11064921  0.03752003  1
  N  N68  1  0.03132249  0.91991194  0.57873637  1
  N  N69  1  0.47951823  0.09133689  0.06781891  1
  N  N70  1  0.98069866  0.08549275  0.43246412  1
  N  N71  1  0.54187593  0.92176855  0.92394573  1
  N  N72  1  0.09663898  0.83677559  0.61734605  1
  N  N73  1  0.41753564  0.17417454  0.11007784  1
  N  N74  1  0.91990091  0.17035446  0.39232390  1
  N  N75  1  0.60065675  0.83631085  0.88254653  1
  N  N76  1  0.15866166  0.75392142  0.64887544  1
  N  N77  1  0.34942296  0.24924567  0.14796446  1
  N  N78  1  0.85220318  0.24600295  0.35437084  1
  N  N79  1  0.65629710  0.75151072  0.84835263  1
  N  N80  1  0.95137307  0.19400758  0.65398340  1
  N  N81  1  0.53056852  0.80254247  0.14945155  1
  N  N82  1  0.03170318  0.80329264  0.35179342  1
  N  N83  1  0.46644534  0.19025214  0.84493472  1
  N  N84  1  0.87078193  0.15891832  0.73213132  1
  N  N85  1  0.62098716  0.84198857  0.22435491  1
  N  N86  1  0.12098310  0.84320272  0.27663760  1
  N  N87  1  0.37664485  0.15635792  0.76887360  1
  N  N88  1  0.78702603  0.13367458  0.81082267  1
  N  N89  1  0.71705176  0.88444443  0.29515858  1
  N  N90  1  0.21623756  0.88586950  0.20548858  1
  N  N91  1  0.28019472  0.12620885  0.69676527  1
