# generated using pymatgen
data_VCrH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85692924
_cell_length_b   11.62171011
_cell_length_c   12.28688264
_cell_angle_alpha   118.36810838
_cell_angle_beta   100.16874008
_cell_angle_gamma   89.90448482
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrH28C32(NO3)4
_chemical_formula_sum   'V1 Cr1 H28 C32 N4 O12'
_cell_volume   967.30341303
_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  0.99999884  0.99999936  0.49999890  1
  Cr  Cr1  1  0.50000187  0.50000074  0.50000138  1
  H  H2  1  0.83551593  0.90448348  0.61801321  1
  H  H3  1  0.66528728  0.29077238  0.38577640  1
  H  H4  1  0.16448233  0.09551552  0.38198500  1
  H  H5  1  0.33471631  0.70922925  0.61422521  1
  H  H6  1  0.02446575  0.84635931  0.61448268  1
  H  H7  1  0.47521330  0.23690183  0.38928355  1
  H  H8  1  0.97553342  0.15364044  0.38551583  1
  H  H9  1  0.52479010  0.76309879  0.61071802  1
  H  H10  1  0.76700826  0.94353508  0.25704286  1
  H  H11  1  0.73068172  0.68862202  0.74488153  1
  H  H12  1  0.23299047  0.05646440  0.74295492  1
  H  H13  1  0.26932007  0.31137992  0.25512477  1
  H  H14  1  0.57896966  0.75562125  0.07897861  1
  H  H15  1  0.91796929  0.67902382  0.92345807  1
  H  H16  1  0.42103101  0.24437885  0.92101767  1
  H  H17  1  0.08202831  0.32097577  0.07654838  1
  H  H18  1  0.79516265  0.51200335  0.23932556  1
  H  H19  1  0.70689777  0.27221176  0.75773815  1
  H  H20  1  0.20483111  0.48799582  0.76067134  1
  H  H21  1  0.29310317  0.72778645  0.24226139  1
  H  H22  1  0.98622723  0.70671576  0.40570151  1
  H  H23  1  0.51598141  0.30135386  0.59310771  1
  H  H24  1  0.01376612  0.29328230  0.59429646  1
  H  H25  1  0.48402238  0.69864621  0.40689145  1
  H  H26  1  0.57317432  0.41209030  0.05568793  1
  H  H27  1  0.92862146  0.35558226  0.94182624  1
  H  H28  1  0.42682208  0.58790915  0.94430787  1
  H  H29  1  0.07137669  0.64441524  0.05817574  1
  C  C30  1  0.76990158  0.84606130  0.24909624  1
  C  C31  1  0.72901404  0.59891442  0.75241453  1
  C  C32  1  0.23009677  0.15393806  0.75090120  1
  C  C33  1  0.27098774  0.40108636  0.24758991  1
  C  C34  1  0.66365164  0.74069270  0.15083086  1
  C  C35  1  0.83490390  0.59167678  0.85071852  1
  C  C36  1  0.33634689  0.25930693  0.84916593  1
  C  C37  1  0.16509537  0.40832280  0.14928616  1
  C  C38  1  0.66760838  0.61647612  0.14571642  1
  C  C39  1  0.83257321  0.47172798  0.85438911  1
  C  C40  1  0.33238831  0.38352341  0.85428016  1
  C  C41  1  0.16742608  0.52827062  0.14561350  1
  C  C42  1  0.78553751  0.60642633  0.24080747  1
  C  C43  1  0.71579833  0.36615754  0.75817298  1
  C  C44  1  0.21445748  0.39357289  0.75918958  1
  C  C45  1  0.28420251  0.63384130  0.24182797  1
  C  C46  1  0.89100592  0.71530875  0.33440304  1
  C  C47  1  0.61041172  0.38163829  0.66496648  1
  C  C48  1  0.10898969  0.28468993  0.66559424  1
  C  C49  1  0.38959114  0.61836160  0.33503446  1
  C  C50  1  0.62189539  0.03556031  0.50230449  1
  C  C51  1  0.87737476  0.53256407  0.49946717  1
  C  C52  1  0.37810260  0.96444093  0.49769638  1
  C  C53  1  0.12262918  0.46743778  0.50053532  1
  C  C54  1  0.55564581  0.94492642  0.54067557  1
  C  C55  1  0.94562511  0.40407449  0.45976824  1
  C  C56  1  0.44435234  0.05507507  0.45932543  1
  C  C57  1  0.05437861  0.59592745  0.54023421  1
  C  C58  1  0.55906693  0.50185092  0.04865113  1
  C  C59  1  0.94139438  0.45330601  0.95072522  1
  C  C60  1  0.44092985  0.49814875  0.95134509  1
  C  C61  1  0.05860378  0.54669171  0.04927714  1
  N  N62  1  0.88075690  0.83577721  0.34245878  1
  N  N63  1  0.61875082  0.49501893  0.65884390  1
  N  N64  1  0.11924070  0.16422173  0.65753897  1
  N  N65  1  0.38125268  0.50498202  0.34115871  1
  O  O66  1  0.96059401  0.92140342  0.61580625  1
  O  O67  1  0.53949846  0.30939139  0.38654427  1
  O  O68  1  0.03940397  0.07859554  0.38419146  1
  O  O69  1  0.46050511  0.69060992  0.61345843  1
  O  O70  1  0.76971739  0.08454015  0.50865652  1
  O  O71  1  0.72754198  0.57384011  0.49135190  1
  O  O72  1  0.23028060  0.91545858  0.49134113  1
  O  O73  1  0.27246162  0.42616140  0.50865112  1
  O  O74  1  0.62688510  0.88438705  0.59716457  1
  O  O75  1  0.87279750  0.28733862  0.40275489  1
  O  O76  1  0.37311341  0.11561361  0.40283546  1
  O  O77  1  0.12720550  0.71266342  0.59724462  1
