# generated using pymatgen
data_VCrH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40679550
_cell_length_b   9.52613993
_cell_length_c   9.53070575
_cell_angle_alpha   81.78204474
_cell_angle_beta   75.39820083
_cell_angle_gamma   75.78795798
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrH20C28(N3O2)4
_chemical_formula_sum   'V1 Cr1 H20 C28 N12 O8'
_cell_volume   798.17543866
_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  0.74193246  0.94098100  0.72325194  1
  Cr  Cr1  1  0.23929950  0.71297772  0.95001064  1
  H  H2  1  0.38634823  0.01391738  0.61020105  1
  H  H3  1  0.88715288  0.61355004  0.02517857  1
  H  H4  1  0.59476172  0.48672952  0.77622633  1
  H  H5  1  0.10447434  0.77197384  0.48256217  1
  H  H6  1  0.87284679  0.87521723  0.18114236  1
  H  H7  1  0.36841649  0.18189289  0.88211247  1
  H  H8  1  0.07890136  0.31132030  0.24691066  1
  H  H9  1  0.57982312  0.24469817  0.29626845  1
  H  H10  1  0.58917285  0.92358275  0.08316143  1
  H  H11  1  0.08491782  0.08977227  0.92313346  1
  H  H12  1  0.96017833  0.11478369  0.40435372  1
  H  H13  1  0.46624881  0.40646950  0.10099492  1
  H  H14  1  0.78806006  0.63165104  0.53497086  1
  H  H15  1  0.29407601  0.53028276  0.62102206  1
  H  H16  1  0.20944876  0.03115873  0.44783487  1
  H  H17  1  0.70892461  0.45528451  0.03313722  1
  H  H18  1  0.30949577  0.98455646  0.18602845  1
  H  H19  1  0.80604085  0.19407738  0.98269356  1
  H  H20  1  0.98736463  0.56855917  0.30837058  1
  H  H21  1  0.49112131  0.30353147  0.55445234  1
  C  C22  1  0.42748541  0.99393031  0.49593370  1
  C  C23  1  0.92787668  0.50021104  0.00215171  1
  C  C24  1  0.43724612  0.90149107  0.86625552  1
  C  C25  1  0.95545533  0.86163011  0.90340311  1
  C  C26  1  0.53585186  0.74915577  0.83799113  1
  C  C27  1  0.05245331  0.82234926  0.75232328  1
  C  C28  1  0.99021275  0.33799369  0.34443307  1
  C  C29  1  0.49322030  0.34271889  0.32433777  1
  C  C30  1  0.54266024  0.94267907  0.19695065  1
  C  C31  1  0.03940668  0.20293640  0.94463425  1
  C  C32  1  0.82257789  0.26363548  0.56011964  1
  C  C33  1  0.32924601  0.56091091  0.25220711  1
  C  C34  1  0.92987059  0.22682367  0.43243993  1
  C  C35  1  0.43496556  0.43337529  0.21368375  1
  C  C36  1  0.82883368  0.52036361  0.50561056  1
  C  C37  1  0.33476948  0.50200896  0.50907608  1
  C  C38  1  0.77236269  0.40794094  0.59495909  1
  C  C39  1  0.27959942  0.59285003  0.39745540  1
  C  C40  1  0.63837573  0.93219763  0.29057611  1
  C  C41  1  0.13622861  0.29498460  0.93843273  1
  C  C42  1  0.33085606  0.00365768  0.40365830  1
  C  C43  1  0.82998198  0.40977850  0.00710962  1
  C  C44  1  0.38748027  0.97814052  0.25552420  1
  C  C45  1  0.88471002  0.26248560  0.97897631  1
  C  C46  1  0.93929152  0.48334603  0.37981589  1
  C  C47  1  0.44358397  0.37613242  0.47027796  1
  C  C48  1  0.58233929  0.95788153  0.43712546  1
  C  C49  1  0.08236132  0.44051688  0.96724309  1
  N  N50  1  0.83035605  0.91684158  0.39658653  1
  N  N51  1  0.33207561  0.39541008  0.92684393  1
  N  N52  1  0.64977897  0.26392227  0.76581113  1
  N  N53  1  0.15435466  0.76679817  0.25981458  1
  N  N54  1  0.70579516  0.94471263  0.49783184  1
  N  N55  1  0.20882723  0.49817307  0.95649817  1
  N  N56  1  0.66753000  0.39980508  0.72403508  1
  N  N57  1  0.17584725  0.72241633  0.39301869  1
  N  N58  1  0.74500581  0.17928001  0.66998622  1
  N  N59  1  0.25157356  0.67496749  0.17105030  1
  N  N60  1  0.79197749  0.90576364  0.27372959  1
  N  N61  1  0.29005371  0.27561309  0.91354569  1
  O  O62  1  0.46715267  0.64406249  0.87631955  1
  O  O63  1  0.98543512  0.85653892  0.64813148  1
  O  O64  1  0.50195479  0.00736596  0.82616910  1
  O  O65  1  1.01831311  0.81366505  0.01076318  1
  O  O66  1  0.29894366  0.90915413  0.92712316  1
  O  O67  1  0.82187418  0.93306186  0.91422612  1
  O  O68  1  0.67295110  0.73817728  0.77722317  1
  O  O69  1  0.18853226  0.75653498  0.74593067  1
