# generated using pymatgen
data_Mn2VFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11811016
_cell_length_b   10.13799748
_cell_length_c   12.55712932
_cell_angle_alpha   90.02899007
_cell_angle_beta   90.00168270
_cell_angle_gamma   106.45597076
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VFeH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Fe1 H28 C28 N32'
_cell_volume   991.13566747
_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  0.16330416  0.12661527  0.55669303  1
  V  V1  1  0.34405088  0.87272734  0.05327870  1
  Mn  Mn2  1  0.83937195  0.86829604  0.44910357  1
  Mn  Mn3  1  0.66410609  0.13280947  0.94393350  1
  H  H4  1  0.11296496  0.45020951  0.58064996  1
  H  H5  1  0.38699883  0.54929968  0.08187832  1
  H  H6  1  0.88474284  0.55088262  0.41857083  1
  H  H7  1  0.61423833  0.44962809  0.92028701  1
  H  H8  1  0.18558783  0.64835087  0.46097591  1
  H  H9  1  0.31276649  0.35061166  0.96132738  1
  H  H10  1  0.81285535  0.35115254  0.53877002  1
  H  H11  1  0.68650382  0.64948647  0.04005299  1
  H  H12  1  0.38696141  0.65298785  0.30483133  1
  H  H13  1  0.11367570  0.34745462  0.80487489  1
  H  H14  1  0.61262520  0.34666312  0.69543502  1
  H  H15  1  0.88865560  0.65520973  0.19575631  1
  H  H16  1  0.50060823  0.44824404  0.27911982  1
  H  H17  1  1.00020739  0.55196550  0.77928378  1
  H  H18  1  0.49920149  0.55055080  0.72160073  1
  H  H19  1  0.00196923  0.45043112  0.22220700  1
  H  H20  1  0.52727430  0.22959803  0.34834604  1
  H  H21  1  0.97542695  0.77150137  0.84710319  1
  H  H22  1  0.47067346  0.76881198  0.65307074  1
  H  H23  1  0.02750121  0.23284429  0.15544461  1
  H  H24  1  0.49750211  0.00403197  0.37759475  1
  H  H25  1  1.00480268  0.99874242  0.87809437  1
  H  H26  1  0.50233331  0.99764449  0.62278980  1
  H  H27  1  -0.00050056  0.00388244  0.12344126  1
  H  H28  1  0.33106784  0.90070804  0.45903701  1
  H  H29  1  0.17193660  0.10042789  0.96025369  1
  H  H30  1  0.66919436  0.09822737  0.54011234  1
  H  H31  1  0.83306486  0.90298978  0.04079523  1
  C  C32  1  0.19321018  0.44827439  0.51117753  1
  C  C33  1  0.30804140  0.55145597  0.01179594  1
  C  C34  1  0.80632603  0.55190126  0.48897127  1
  C  C35  1  0.69359941  0.44913941  0.99035107  1
  C  C36  1  0.23768319  0.56259984  0.44413399  1
  C  C37  1  0.26222614  0.43725107  0.94478762  1
  C  C38  1  0.76175529  0.43739035  0.55575979  1
  C  C39  1  0.73835019  0.56375695  0.05723576  1
  C  C40  1  0.34915791  0.56500599  0.35828240  1
  C  C41  1  0.15150796  0.43541277  0.85849733  1
  C  C42  1  0.65109249  0.43477980  0.64206432  1
  C  C43  1  0.85005374  0.56658822  0.14291712  1
  C  C44  1  0.41358605  0.45378203  0.34391972  1
  C  C45  1  0.08794952  0.54700212  0.84380759  1
  C  C46  1  0.58667961  0.54601126  0.65682764  1
  C  C47  1  0.91399156  0.45514635  0.15776706  1
  C  C48  1  0.36027093  0.34047612  0.41365716  1
  C  C49  1  0.14207196  0.66073840  0.91309423  1
  C  C50  1  0.63958683  0.65954078  0.58765352  1
  C  C51  1  0.86024607  0.34150140  0.08861195  1
  C  C52  1  0.42208685  0.22182649  0.40475913  1
  C  C53  1  0.07977053  0.77868062  0.90419800  1
  C  C54  1  0.57626127  0.77735807  0.59661040  1
  C  C55  1  0.92324848  0.22346656  0.09780392  1
  C  C56  1  0.43354418  -0.00216456  0.45551669  1
  C  C57  1  0.06811012  1.00399486  0.95615294  1
  C  C58  1  0.56528762  1.00211733  0.54478357  1
  C  C59  1  0.93636925  -0.00048382  0.04546828  1
  N  N60  1  0.24673036  0.33566153  0.49522361  1
  N  N61  1  0.25751073  0.66575179  0.99441650  1
  N  N62  1  0.75511353  0.66558867  0.50671776  1
  N  N63  1  0.74530412  0.33582281  0.00757978  1
  N  N64  1  0.35408631  0.11142889  0.46094121  1
  N  N65  1  0.14594596  0.88934548  0.96151371  1
  N  N66  1  0.64309391  0.88769443  0.54045458  1
  N  N67  1  0.85818812  0.11359627  0.04092129  1
  N  N68  1  0.03009018  0.91781174  0.57658265  1
  N  N69  1  0.45729649  0.07770896  0.07529493  1
  N  N70  1  0.97638859  0.08450701  0.42817134  1
  N  N71  1  0.51885329  0.90954693  0.92841051  1
  N  N72  1  0.09550214  0.83577917  0.61681173  1
  N  N73  1  0.39980181  0.16351491  0.11713378  1
  N  N74  1  0.91549150  0.17017773  0.38961828  1
  N  N75  1  0.58228037  0.82593050  0.88850782  1
  N  N76  1  0.15895336  0.75462835  0.64994557  1
  N  N77  1  0.34410775  0.24800625  0.15186769  1
  N  N78  1  0.84885847  0.24784748  0.35389024  1
  N  N79  1  0.65133990  0.75006685  0.85310611  1
  N  N80  1  0.96971175  0.19775864  0.64897431  1
  N  N81  1  0.52225629  0.80313872  0.14834929  1
  N  N82  1  0.04791322  0.80907557  0.34603249  1
  N  N83  1  0.45445480  0.19227903  0.84314338  1
  N  N84  1  0.87977387  0.15522876  0.72334457  1
  N  N85  1  0.61730273  0.84289761  0.22177927  1
  N  N86  1  0.13027223  0.84073039  0.26811095  1
  N  N87  1  0.37047595  0.16008079  0.76528469  1
  N  N88  1  0.78263798  0.11344194  0.79376569  1
  N  N89  1  0.71559415  0.87918416  0.29187756  1
  N  N90  1  0.21391197  0.86366632  0.18933011  1
  N  N91  1  0.27702756  0.12658213  0.69159231  1
