# generated using pymatgen
data_Mn2VFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11815459
_cell_length_b   10.13569109
_cell_length_c   12.55855847
_cell_angle_alpha   90.02978746
_cell_angle_beta   89.99521640
_cell_angle_gamma   106.44582055
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VFeH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Fe1 H28 C28 N32'
_cell_volume   991.08023563
_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  0.15798951  0.12673522  0.55433895  1
  Mn  Mn1  1  0.33780739  0.86695794  0.05457040  1
  Fe  Fe2  1  0.83031887  0.86844569  0.43996552  1
  Mn  Mn3  1  0.66252561  0.13228025  0.94835068  1
  H  H4  1  0.11134861  0.44885967  0.58044409  1
  H  H5  1  0.38420757  0.54955524  0.07992514  1
  H  H6  1  0.88535725  0.54932918  0.41947835  1
  H  H7  1  0.61387199  0.44908855  0.92120343  1
  H  H8  1  0.18562333  0.64848584  0.46079108  1
  H  H9  1  0.31069633  0.34948021  0.95983699  1
  H  H10  1  0.81243638  0.35079193  0.53856094  1
  H  H11  1  0.68769871  0.64977752  0.04083232  1
  H  H12  1  0.38672937  0.65292572  0.30471532  1
  H  H13  1  0.11105740  0.34529339  0.80354772  1
  H  H14  1  0.61289810  0.34651531  0.69589326  1
  H  H15  1  0.88962878  0.65515386  0.19656389  1
  H  H16  1  0.50235925  0.44984500  0.27962579  1
  H  H17  1  0.99678620  0.54961968  0.77794703  1
  H  H18  1  0.49830258  0.55075059  0.72161473  1
  H  H19  1  0.00461311  0.45173306  0.22181893  1
  H  H20  1  0.52458930  0.22815428  0.34614806  1
  H  H21  1  0.97283909  0.76853771  0.84410912  1
  H  H22  1  0.47537933  0.77237538  0.65423633  1
  H  H23  1  0.02855668  0.23165927  0.15617948  1
  H  H24  1  0.49943417  0.00596651  0.37699400  1
  H  H25  1  0.99826330  0.99514910  0.87790125  1
  H  H26  1  0.49994986  0.99219877  0.62201335  1
  H  H27  1  0.00271830  0.00533302  0.12298439  1
  H  H28  1  0.33187685  0.90128855  0.45675296  1
  H  H29  1  0.16895302  0.09635340  0.95762293  1
  H  H30  1  0.66702753  0.09762146  0.54289890  1
  H  H31  1  0.83200801  0.90374204  0.04350763  1
  C  C32  1  0.19125886  0.44769719  0.51066681  1
  C  C33  1  0.30393113  0.55007502  0.01036422  1
  C  C34  1  0.80504879  0.55101099  0.48896293  1
  C  C35  1  0.69495295  0.44920046  0.99049116  1
  C  C36  1  0.23706008  0.56230599  0.44414960  1
  C  C37  1  0.25924393  0.43560338  0.94329145  1
  C  C38  1  0.76076470  0.43663273  0.55595660  1
  C  C39  1  0.73986895  0.56399294  0.05719114  1
  C  C40  1  0.34899157  0.56501051  0.35835212  1
  C  C41  1  0.14832433  0.43312114  0.85720732  1
  C  C42  1  0.64985974  0.43419739  0.64208080  1
  C  C43  1  0.85176530  0.56723429  0.14288793  1
  C  C44  1  0.41364266  0.45396558  0.34377464  1
  C  C45  1  0.08393333  0.54440223  0.84270925  1
  C  C46  1  0.58536510  0.54539366  0.65678567  1
  C  C47  1  0.91670689  0.45624633  0.15731865  1
  C  C48  1  0.35911729  0.33982998  0.41247811  1
  C  C49  1  0.13702271  0.65763716  0.91230252  1
  C  C50  1  0.63837337  0.65871910  0.58720653  1
  C  C51  1  0.86344443  0.34256504  0.08820241  1
  C  C52  1  0.42132469  0.22201429  0.40378485  1
  C  C53  1  0.07529374  0.77622895  0.90267854  1
  C  C54  1  0.57768375  0.77762996  0.59619848  1
  C  C55  1  0.92567842  0.22428961  0.09794976  1
  C  C56  1  0.43502731  -0.00189887  0.45476202  1
  C  C57  1  0.06429410  1.00048820  0.95498198  1
  C  C58  1  0.56502555  1.00026100  0.54438310  1
  C  C59  1  0.93651492  -0.00031947  0.04592720  1
  N  N60  1  0.24264021  0.33386271  0.49327136  1
  N  N61  1  0.25116617  0.66313013  0.99384941  1
  N  N62  1  0.75195280  0.66379812  0.50539725  1
  N  N63  1  0.74849089  0.33642803  0.00697414  1
  N  N64  1  0.35640758  0.11218014  0.46226915  1
  N  N65  1  0.14065341  0.88535761  0.96032125  1
  N  N66  1  0.64413683  0.88653862  0.53780752  1
  N  N67  1  0.85995366  0.11472342  0.04068936  1
  N  N68  1  0.03288940  0.92255387  0.56756219  1
  N  N69  1  0.46783854  0.08537511  0.07426710  1
  N  N70  1  0.98134091  0.08715544  0.42971482  1
  N  N71  1  0.53242537  0.91468880  0.92742988  1
  N  N72  1  0.08872785  0.83591587  0.61050771  1
  N  N73  1  0.40780389  0.16974458  0.11506699  1
  N  N74  1  0.91714450  0.17015659  0.38886376  1
  N  N75  1  0.59196172  0.83028323  0.88614890  1
  N  N76  1  0.14612414  0.75308986  0.64627178  1
  N  N77  1  0.34624208  0.25161560  0.14947845  1
  N  N78  1  0.84779555  0.24526844  0.35253045  1
  N  N79  1  0.65324763  0.74843819  0.85137454  1
  N  N80  1  0.97763018  0.19669246  0.64695258  1
  N  N81  1  0.54065759  0.80205094  0.15786997  1
  N  N82  1  0.02994853  0.80037937  0.35263420  1
  N  N83  1  0.45744919  0.19629574  0.84375725  1
  N  N84  1  0.88259911  0.15741959  0.72041395  1
  N  N85  1  0.63114481  0.84118101  0.23196027  1
  N  N86  1  0.12016151  0.84237362  0.27816040  1
  N  N87  1  0.36893719  0.15871748  0.76904039  1
  N  N88  1  0.78456461  0.12103574  0.79062738  1
  N  N89  1  0.72815561  0.87950668  0.30353975  1
  N  N90  1  0.21739406  0.88308861  0.20765911  1
  N  N91  1  0.27905114  0.12743253  0.69318282  1
