# generated using pymatgen
data_Mn2VFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11684840
_cell_length_b   10.13780117
_cell_length_c   12.55491657
_cell_angle_alpha   90.02665075
_cell_angle_beta   90.00868643
_cell_angle_gamma   106.45453537
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VFeH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Fe1 H28 C28 N32'
_cell_volume   990.79513324
_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  0.15890590  0.13361691  0.55175633  1
  V  V1  1  0.34290276  0.87308603  0.05720408  1
  Fe  Fe2  1  0.83548274  0.87563571  0.44319618  1
  Mn  Mn3  1  0.66273319  0.13391607  0.94480007  1
  H  H4  1  0.11333574  0.44802496  0.58046123  1
  H  H5  1  0.38757865  0.54894005  0.08216910  1
  H  H6  1  0.88576443  0.54872631  0.41844287  1
  H  H7  1  0.61403414  0.44903022  0.92021231  1
  H  H8  1  0.18598384  0.64883546  0.46039656  1
  H  H9  1  0.31317223  0.35071834  0.96148515  1
  H  H10  1  0.81291823  0.35098111  0.53832224  1
  H  H11  1  0.68695152  0.64984471  0.04030830  1
  H  H12  1  0.38737134  0.65422135  0.30491804  1
  H  H13  1  0.11274173  0.34772300  0.80523091  1
  H  H14  1  0.61222781  0.34753806  0.69536466  1
  H  H15  1  0.88830612  0.65536536  0.19573136  1
  H  H16  1  0.50177908  0.45013411  0.27852089  1
  H  H17  1  1.00102338  0.55287656  0.77962949  1
  H  H18  1  0.50040440  0.55285952  0.72083774  1
  H  H19  1  0.00219221  0.45083929  0.22223789  1
  H  H20  1  0.52970716  0.23298919  0.34670943  1
  H  H21  1  0.97711796  0.77271241  0.84789247  1
  H  H22  1  0.47363637  0.77115428  0.65136115  1
  H  H23  1  0.02776332  0.23317438  0.15519708  1
  H  H24  1  0.49702122  0.00188727  0.37653420  1
  H  H25  1  1.00595315  0.99835787  0.87885637  1
  H  H26  1  0.50359475  0.99660606  0.62179275  1
  H  H27  1  -0.00187311  0.00270606  0.12411377  1
  H  H28  1  0.33057353  0.90190128  0.45964677  1
  H  H29  1  0.17168468  0.10045754  0.96157309  1
  H  H30  1  0.66916931  0.09955633  0.53983537  1
  H  H31  1  0.83179022  0.90315432  0.04060353  1
  C  C32  1  0.19246551  0.44799845  0.51025988  1
  C  C33  1  0.30848473  0.55140397  0.01211897  1
  C  C34  1  0.80615697  0.55122417  0.48817479  1
  C  C35  1  0.69328687  0.44896381  0.99037793  1
  C  C36  1  0.23743954  0.56271143  0.44367932  1
  C  C37  1  0.26253530  0.43731609  0.94495673  1
  C  C38  1  0.76150399  0.43703049  0.55538210  1
  C  C39  1  0.73829620  0.56372667  0.05706390  1
  C  C40  1  0.34922600  0.56575066  0.35788181  1
  C  C41  1  0.15170504  0.43576849  0.85871706  1
  C  C42  1  0.65085724  0.43524891  0.64158424  1
  C  C43  1  0.85013172  0.56676666  0.14280092  1
  C  C44  1  0.41402416  0.45470435  0.34313876  1
  C  C45  1  0.08885802  0.54776760  0.84405599  1
  C  C46  1  0.58726059  0.54690102  0.65604512  1
  C  C47  1  0.91424241  0.45539925  0.15771255  1
  C  C48  1  0.36046637  0.34092136  0.41204886  1
  C  C49  1  0.14326999  0.66130626  0.91353531  1
  C  C50  1  0.64053942  0.65985915  0.58604374  1
  C  C51  1  0.86026165  0.34157535  0.08872565  1
  C  C52  1  0.42398154  0.22303556  0.40329331  1
  C  C53  1  0.08135310  0.77943998  0.90499438  1
  C  C54  1  0.57865348  0.77848069  0.59490457  1
  C  C55  1  0.92332695  0.22353914  0.09766563  1
  C  C56  1  0.43437250  -0.00189327  0.45464651  1
  C  C57  1  0.06850971  1.00378059  0.95716210  1
  C  C58  1  0.56667453  1.00257052  0.54363325  1
  C  C59  1  0.93573859  -0.00074765  0.04589363  1
  N  N60  1  0.24433122  0.33455828  0.49239992  1
  N  N61  1  0.25818548  0.66582104  0.99515193  1
  N  N62  1  0.75352065  0.66422644  0.50413145  1
  N  N63  1  0.74466128  0.33546782  0.00807092  1
  N  N64  1  0.35700008  0.11294662  0.45950016  1
  N  N65  1  0.14706269  0.88964929  0.96293960  1
  N  N66  1  0.64556930  0.88874489  0.53839246  1
  N  N67  1  0.85792460  0.11376772  0.04065525  1
  N  N68  1  0.01954137  0.91468665  0.56683798  1
  N  N69  1  0.45836195  0.07802578  0.07691049  1
  N  N70  1  0.96834281  0.07974650  0.42164205  1
  N  N71  1  0.52062421  0.90867784  0.93251506  1
  N  N72  1  0.07989776  0.82978914  0.60732255  1
  N  N73  1  0.39940912  0.16344613  0.11819466  1
  N  N74  1  0.90324817  0.16274626  0.38258722  1
  N  N75  1  0.58244793  0.82572078  0.89019027  1
  N  N76  1  0.14727744  0.75393567  0.64527595  1
  N  N77  1  0.34310219  0.24794817  0.15224936  1
  N  N78  1  0.84097065  0.24517490  0.35049867  1
  N  N79  1  0.65032825  0.75050240  0.85237503  1
  N  N80  1  0.96856932  0.19623542  0.64854934  1
  N  N81  1  0.53319086  0.80914472  0.15513766  1
  N  N82  1  0.04853094  0.80614938  0.34666276  1
  N  N83  1  0.46877739  0.19626267  0.85089988  1
  N  N84  1  0.87929342  0.15650638  0.72374126  1
  N  N85  1  0.62341381  0.84328261  0.23096068  1
  N  N86  1  0.12880456  0.84072798  0.26830969  1
  N  N87  1  0.37957722  0.15778669  0.77537554  1
  N  N88  1  0.78410649  0.11385473  0.79492780  1
  N  N89  1  0.72077064  0.87394162  0.30253033  1
  N  N90  1  0.21248222  0.86597632  0.18960548  1
  N  N91  1  0.28511291  0.11644560  0.70363299  1
