# generated using pymatgen
data_Mn2VCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11743076
_cell_length_b   10.13668599
_cell_length_c   12.55610306
_cell_angle_alpha   90.02879843
_cell_angle_beta   89.99948034
_cell_angle_gamma   106.45356377
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VCoH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Co1 H28 C28 N32'
_cell_volume   990.85583105
_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
  Co  Co0  1  0.16078642  0.13138448  0.56011354  1
  Mn  Mn1  1  0.33831786  0.86777514  0.05083161  1
  V  V2  1  0.84429713  0.87452280  0.44693625  1
  Mn  Mn3  1  0.65878417  0.13416455  0.94468441  1
  H  H4  1  0.11271976  0.44822886  0.58102884  1
  H  H5  1  0.38398816  0.55030056  0.08089308  1
  H  H6  1  0.88739407  0.54978142  0.41790742  1
  H  H7  1  0.61378222  0.44985674  0.91985435  1
  H  H8  1  0.18546877  0.64822723  0.46116928  1
  H  H9  1  0.31153498  0.35038310  0.96059659  1
  H  H10  1  0.81266092  0.35092959  0.53735387  1
  H  H11  1  0.68737673  0.64984658  0.04048969  1
  H  H12  1  0.38671425  0.65312616  0.30538478  1
  H  H13  1  0.11054241  0.34540180  0.80441846  1
  H  H14  1  0.61349620  0.34770068  0.69441110  1
  H  H15  1  0.88955068  0.65494508  0.19526021  1
  H  H16  1  0.50008003  0.44845161  0.27889330  1
  H  H17  1  0.99832391  0.54993558  0.77775356  1
  H  H18  1  0.50048400  0.55228546  0.72024814  1
  H  H19  1  0.00235022  0.44997133  0.22152978  1
  H  H20  1  0.52563103  0.23142729  0.34665898  1
  H  H21  1  0.97163915  0.76900735  0.84546964  1
  H  H22  1  0.47496309  0.77101330  0.65247697  1
  H  H23  1  0.02775972  0.23254444  0.15382762  1
  H  H24  1  0.49670697  0.00378999  0.37677047  1
  H  H25  1  1.00153378  0.99754794  0.87729017  1
  H  H26  1  0.50406716  0.99859551  0.62206004  1
  H  H27  1  -0.00173685  0.00274711  0.12221361  1
  H  H28  1  0.33165742  0.90194260  0.45994880  1
  H  H29  1  0.17019713  0.09750020  0.95916272  1
  H  H30  1  0.66989373  0.10055564  0.53922885  1
  H  H31  1  0.83001193  0.90320760  0.04010171  1
  C  C32  1  0.19284026  0.44746110  0.51139846  1
  C  C33  1  0.30512503  0.55112413  0.01065939  1
  C  C34  1  0.80886809  0.55223690  0.48817944  1
  C  C35  1  0.69348351  0.44919511  0.98968443  1
  C  C36  1  0.23691964  0.56212992  0.44445975  1
  C  C37  1  0.26045625  0.43660208  0.94371936  1
  C  C38  1  0.76273566  0.43773762  0.55473917  1
  C  C39  1  0.73885900  0.56366684  0.05673767  1
  C  C40  1  0.34824461  0.56482949  0.35855620  1
  C  C41  1  0.14958009  0.43390683  0.85750219  1
  C  C42  1  0.65195507  0.43582052  0.64103318  1
  C  C43  1  0.85069162  0.56632143  0.14239008  1
  C  C44  1  0.41260455  0.45361888  0.34352695  1
  C  C45  1  0.08563856  0.54535629  0.84259934  1
  C  C46  1  0.58875392  0.54751415  0.65598568  1
  C  C47  1  0.91459780  0.45478414  0.15697864  1
  C  C48  1  0.35943330  0.34029537  0.41306498  1
  C  C49  1  0.13859717  0.65888171  0.91192475  1
  C  C50  1  0.64315331  0.66141643  0.58701828  1
  C  C51  1  0.86064525  0.34138176  0.08760452  1
  C  C52  1  0.42161095  0.22147311  0.40414584  1
  C  C53  1  0.07593694  0.77697768  0.90276223  1
  C  C54  1  0.57988483  0.77888703  0.59569944  1
  C  C55  1  0.92332973  0.22314138  0.09638946  1
  C  C56  1  0.43407740  -0.00121292  0.45505584  1
  C  C57  1  0.06546153  1.00186085  0.95498424  1
  C  C58  1  0.56678405  1.00387219  0.54386962  1
  C  C59  1  0.93441812  -0.00097893  0.04451829  1
  N  N60  1  0.24677012  0.33537746  0.49455343  1
  N  N61  1  0.25322342  0.66461053  0.99335582  1
  N  N62  1  0.75899846  0.66667124  0.50600641  1
  N  N63  1  0.74578671  0.33581306  0.00643418  1
  N  N64  1  0.35477772  0.11222617  0.46064667  1
  N  N65  1  0.14210557  0.88685717  0.95963560  1
  N  N66  1  0.64498353  0.88955610  0.53840298  1
  N  N67  1  0.85711092  0.11381053  0.03918727  1
  N  N68  1  0.01526332  0.91178435  0.57131498  1
  N  N69  1  0.46523626  0.08399648  0.07337779  1
  N  N70  1  0.96745974  0.07720909  0.42872293  1
  N  N71  1  0.53419117  0.91569101  0.92545315  1
  N  N72  1  0.08479987  0.83265399  0.61202916  1
  N  N73  1  0.40545370  0.16825177  0.11478294  1
  N  N74  1  0.91223942  0.16570060  0.38888050  1
  N  N75  1  0.59478662  0.83159751  0.88456939  1
  N  N76  1  0.15609880  0.75789204  0.64699791  1
  N  N77  1  0.34395950  0.24976606  0.14982487  1
  N  N78  1  0.85201459  0.24745941  0.35366863  1
  N  N79  1  0.65623183  0.74969912  0.85017891  1
  N  N80  1  0.97077870  0.19503319  0.64749346  1
  N  N81  1  0.54471951  0.80641324  0.15636582  1
  N  N82  1  0.02466367  0.80428195  0.35358897  1
  N  N83  1  0.46504676  0.19618036  0.84249683  1
  N  N84  1  0.88223021  0.15601573  0.72287445  1
  N  N85  1  0.63094321  0.84135453  0.23230655  1
  N  N86  1  0.11738579  0.84256802  0.27886163  1
  N  N87  1  0.37311580  0.15863919  0.76809625  1
  N  N88  1  0.78883218  0.12116759  0.79607918  1
  N  N89  1  0.71770086  0.86850853  0.30974626  1
  N  N90  1  0.21073186  0.87375127  0.20593256  1
  N  N91  1  0.27670378  0.11408020  0.69799204  1
