# generated using pymatgen
data_VCrH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85692383
_cell_length_b   11.62169668
_cell_length_c   12.28644465
_cell_angle_alpha   118.36428884
_cell_angle_beta   100.16909014
_cell_angle_gamma   89.90447217
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrH28C32(NO3)4
_chemical_formula_sum   'V1 Cr1 H28 C32 N4 O12'
_cell_volume   967.30203747
_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
  Cr  Cr0  1  0.99999913  0.99999942  0.49999892  1
  V  V1  1  0.50000182  0.50000078  0.50000158  1
  H  H2  1  0.83500809  0.90589064  0.61444857  1
  H  H3  1  0.66479869  0.28573140  0.38224334  1
  H  H4  1  0.16499029  0.09410840  0.38554958  1
  H  H5  1  0.33520493  0.71427007  0.61775838  1
  H  H6  1  0.02492029  0.84812530  0.61067354  1
  H  H7  1  0.47564078  0.23127934  0.38543414  1
  H  H8  1  0.97507938  0.15187489  0.38932568  1
  H  H9  1  0.52436283  0.76872112  0.61456732  1
  H  H10  1  0.76702677  0.94402518  0.25752608  1
  H  H11  1  0.73073249  0.68867176  0.74544823  1
  H  H12  1  0.23297176  0.05597419  0.74247164  1
  H  H13  1  0.26926966  0.31133037  0.25455830  1
  H  H14  1  0.57888570  0.75587869  0.07896392  1
  H  H15  1  0.91792240  0.67878007  0.92346543  1
  H  H16  1  0.42111466  0.24412103  0.92103203  1
  H  H17  1  0.08207537  0.32121932  0.07654119  1
  H  H18  1  0.79611009  0.51257114  0.24022641  1
  H  H19  1  0.70774401  0.27254248  0.75850452  1
  H  H20  1  0.20388354  0.48742784  0.75977028  1
  H  H21  1  0.29225665  0.72745539  0.24149441  1
  H  H22  1  0.98601160  0.70676251  0.40568411  1
  H  H23  1  0.51579268  0.30132937  0.59312095  1
  H  H24  1  0.01398225  0.29323627  0.59431404  1
  H  H25  1  0.48421068  0.69867150  0.40687820  1
  H  H26  1  0.57348208  0.41229165  0.05577031  1
  H  H27  1  0.92894339  0.35548040  0.94190781  1
  H  H28  1  0.42651442  0.58770792  0.94422560  1
  H  H29  1  0.07105470  0.64451721  0.05809411  1
  C  C30  1  0.76959528  0.84637850  0.24904741  1
  C  C31  1  0.72874750  0.59862735  0.75245374  1
  C  C32  1  0.23040271  0.15362071  0.75094992  1
  C  C33  1  0.27125445  0.40137364  0.24755076  1
  C  C34  1  0.66348355  0.74085824  0.15074062  1
  C  C35  1  0.83477930  0.59145028  0.85066167  1
  C  C36  1  0.33651482  0.25914128  0.84925598  1
  C  C37  1  0.16521990  0.40854936  0.14934303  1
  C  C38  1  0.66767941  0.61665300  0.14574466  1
  C  C39  1  0.83264921  0.47159610  0.85439865  1
  C  C40  1  0.33231743  0.38334660  0.85425203  1
  C  C41  1  0.16734990  0.52840238  0.14560381  1
  C  C42  1  0.78576863  0.60662197  0.24091719  1
  C  C43  1  0.71604470  0.36611814  0.75825603  1
  C  C44  1  0.21422645  0.39337721  0.75907994  1
  C  C45  1  0.28395599  0.63388065  0.24174477  1
  C  C46  1  0.89078286  0.71556683  0.33448910  1
  C  C47  1  0.61020415  0.38155954  0.66504537  1
  C  C48  1  0.10921264  0.28443187  0.66550826  1
  C  C49  1  0.38979861  0.61844072  0.33495560  1
  C  C50  1  0.62249669  0.03309038  0.50059293  1
  C  C51  1  0.87800828  0.53339686  0.49779171  1
  C  C52  1  0.37750136  0.96691032  0.49940764  1
  C  C53  1  0.12199528  0.46660470  0.50221077  1
  C  C54  1  0.55461493  0.94431273  0.54009497  1
  C  C55  1  0.94452772  0.40412134  0.45917063  1
  C  C56  1  0.44538333  0.05568824  0.45990583  1
  C  C57  1  0.05547579  0.59588033  0.54083161  1
  C  C58  1  0.55921175  0.50199823  0.04869754  1
  C  C59  1  0.94153708  0.45320843  0.95076061  1
  C  C60  1  0.44078517  0.49800163  0.95129880  1
  C  C61  1  0.05846097  0.54678935  0.04924165  1
  N  N62  1  0.88122217  0.83548327  0.34158167  1
  N  N63  1  0.61919438  0.49454000  0.65800201  1
  N  N64  1  0.11877490  0.16451555  0.65841586  1
  N  N65  1  0.38080903  0.50546129  0.34200076  1
  O  O66  1  0.96075360  0.92365131  0.61367943  1
  O  O67  1  0.53964480  0.30496887  0.38438460  1
  O  O68  1  0.03924469  0.07634780  0.38631838  1
  O  O69  1  0.46035898  0.69503253  0.61561844  1
  O  O70  1  0.77217300  0.08280622  0.50920072  1
  O  O71  1  0.73005375  0.57622816  0.49186702  1
  O  O72  1  0.22782492  0.91719265  0.49079711  1
  O  O73  1  0.26994965  0.42377339  0.50813614  1
  O  O74  1  0.62768085  0.88505597  0.59741507  1
  O  O75  1  0.87353962  0.28694729  0.40297087  1
  O  O76  1  0.37231821  0.11494452  0.40258505  1
  O  O77  1  0.12646351  0.71305432  0.59702847  1
