# generated using pymatgen
data_Mn2VFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11692402
_cell_length_b   10.13773527
_cell_length_c   12.55503309
_cell_angle_alpha   90.04187061
_cell_angle_beta   89.96687627
_cell_angle_gamma   106.45475913
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VFeH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Fe1 H28 C28 N32'
_cell_volume   990.80578738
_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  0.15692277  0.12674223  0.55662324  1
  Mn  Mn1  1  0.34127069  0.86622324  0.05203250  1
  Mn  Mn2  1  0.83734619  0.86575944  0.44446446  1
  Fe  Fe3  1  0.66516056  0.12418688  0.94394707  1
  H  H4  1  0.11059573  0.44977330  0.58169706  1
  H  H5  1  0.38482415  0.55077984  0.08091250  1
  H  H6  1  0.88438919  0.55042995  0.41892198  1
  H  H7  1  0.61261191  0.45047584  0.91985186  1
  H  H8  1  0.18498180  0.64845645  0.46124919  1
  H  H9  1  0.31195954  0.35019302  0.96050465  1
  H  H10  1  0.81166674  0.34985631  0.53908885  1
  H  H11  1  0.68603393  0.64869212  0.03941150  1
  H  H12  1  0.38629317  0.65208829  0.30534311  1
  H  H13  1  0.11193464  0.34567526  0.80456827  1
  H  H14  1  0.61274556  0.34560317  0.69566594  1
  H  H15  1  0.88905866  0.65337923  0.19544448  1
  H  H16  1  0.49952706  0.44771952  0.27990521  1
  H  H17  1  0.99858455  0.55030136  0.77818340  1
  H  H18  1  0.49931084  0.55032991  0.72242365  1
  H  H19  1  0.00137819  0.44836112  0.22067633  1
  H  H20  1  0.52365427  0.22787942  0.34787252  1
  H  H21  1  0.97160720  0.76762677  0.84629555  1
  H  H22  1  0.47252402  0.76743702  0.65484292  1
  H  H23  1  0.02676079  0.22938346  0.15197067  1
  H  H24  1  0.49510098  0.00239301  0.37817214  1
  H  H25  1  1.00371879  0.99842820  0.87722553  1
  H  H26  1  0.50210469  0.99754090  0.62340667  1
  H  H27  1  -0.00294080  0.00410567  0.12244687  1
  H  H28  1  0.32939687  0.89970378  0.46052048  1
  H  H29  1  0.17043244  0.09795439  0.96039423  1
  H  H30  1  0.66877989  0.09724418  0.54025164  1
  H  H31  1  0.83151658  0.90081922  0.04056381  1
  C  C32  1  0.19031156  0.44790837  0.51181133  1
  C  C33  1  0.30613140  0.55118483  0.01058484  1
  C  C34  1  0.80575018  0.55081153  0.48935110  1
  C  C35  1  0.69304279  0.44845445  0.98924594  1
  C  C36  1  0.23612699  0.56207800  0.44481276  1
  C  C37  1  0.26102732  0.43656908  0.94379641  1
  C  C38  1  0.76105574  0.43630154  0.55619082  1
  C  C39  1  0.73805251  0.56293891  0.05624318  1
  C  C40  1  0.34759883  0.56407571  0.35880620  1
  C  C41  1  0.14997433  0.43402693  0.85772247  1
  C  C42  1  0.65029246  0.43385119  0.64243924  1
  C  C43  1  0.84985318  0.56537731  0.14191626  1
  C  C44  1  0.41121734  0.45244856  0.34418143  1
  C  C45  1  0.08581692  0.54537978  0.84298907  1
  C  C46  1  0.58647148  0.54535192  0.65752670  1
  C  C47  1  0.91380248  0.45391516  0.15623525  1
  C  C48  1  0.35677619  0.33876466  0.41340715  1
  C  C49  1  0.13940266  0.65896005  0.91218344  1
  C  C50  1  0.63981793  0.65878859  0.58823644  1
  C  C51  1  0.85992606  0.34056714  0.08655608  1
  C  C52  1  0.41909119  0.22085664  0.40481306  1
  C  C53  1  0.07648550  0.77710817  0.90339704  1
  C  C54  1  0.57682120  0.77685668  0.59724269  1
  C  C55  1  0.92183109  0.22198922  0.09544971  1
  C  C56  1  0.43225636  -0.00340447  0.45643019  1
  C  C57  1  0.06625024  1.00199085  0.95533982  1
  C  C58  1  0.56479802  1.00113405  0.54525698  1
  C  C59  1  0.93395939  -0.00217139  0.04429586  1
  N  N60  1  0.24136123  0.33382047  0.49483032  1
  N  N61  1  0.25502276  0.66493909  0.99275991  1
  N  N62  1  0.75499074  0.66456901  0.50735622  1
  N  N63  1  0.74636719  0.33574644  0.00493965  1
  N  N64  1  0.35325322  0.11046274  0.46244324  1
  N  N65  1  0.14311994  0.88688081  0.96010158  1
  N  N66  1  0.64232420  0.88643623  0.54013996  1
  N  N67  1  0.85499069  0.11159340  0.03894808  1
  N  N68  1  0.04184235  0.92216606  0.57643882  1
  N  N69  1  0.48062409  0.08566242  0.06753478  1
  N  N70  1  0.97958157  0.09104437  0.43212344  1
  N  N71  1  0.53153438  0.91971203  0.92170747  1
  N  N72  1  0.10040604  0.83665065  0.61786830  1
  N  N73  1  0.41988905  0.17065658  0.10762842  1
  N  N74  1  0.91745939  0.17379365  0.38983420  1
  N  N75  1  0.59684758  0.83658086  0.88297617  1
  N  N76  1  0.15590762  0.75182788  0.65199509  1
  N  N77  1  0.35227385  0.24641906  0.14556925  1
  N  N78  1  0.84927148  0.24869204  0.35196751  1
  N  N79  1  0.65867311  0.75366770  0.85121278  1
  N  N80  1  0.96606624  0.18992564  0.65495428  1
  N  N81  1  0.53033540  0.80269696  0.14889431  1
  N  N82  1  0.03191756  0.80308586  0.35118419  1
  N  N83  1  0.45196100  0.19411573  0.84624532  1
  N  N84  1  0.87630522  0.15589516  0.73101050  1
  N  N85  1  0.62081108  0.84283358  0.22352600  1
  N  N86  1  0.12110444  0.84248348  0.27578724  1
  N  N87  1  0.37146803  0.15944960  0.76797792  1
  N  N88  1  0.78005043  0.12565993  0.80320998  1
  N  N89  1  0.71742763  0.88553689  0.29402516  1
  N  N90  1  0.21574984  0.88471202  0.20429042  1
  N  N91  1  0.28787677  0.13464397  0.68919258  1
