# generated using pymatgen
data_VCrNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86599918
_cell_length_b   10.86453688
_cell_length_c   10.85793703
_cell_angle_alpha   89.19556325
_cell_angle_beta   88.95310085
_cell_angle_gamma   63.73851978
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrNiH8C14(NO)6
_chemical_formula_sum   'V2 Cr2 Ni2 H16 C28 N12 O12'
_cell_volume   1149.30163810
_cell_formula_units_Z   2
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
  Ni  Ni0  1  0.91184809  0.09115988  0.25270419  1
  Ni  Ni1  1  0.08815228  0.90884198  0.74729328  1
  Cr  Cr2  1  0.85796200  0.98790465  -0.00420140  1
  V  V3  1  0.01298493  0.14549089  0.49875762  1
  Cr  Cr4  1  0.14203697  0.01209396  1.00420119  1
  V  V5  1  0.98701190  0.85451419  0.50124289  1
  H  H6  1  0.54085484  0.16949554  0.41256453  1
  H  H7  1  0.83007243  0.46437438  0.08730991  1
  H  H8  1  0.45914808  0.83049415  0.58743955  1
  H  H9  1  0.16993273  0.53562681  0.91268690  1
  H  H10  1  0.33782034  0.15689043  0.51167904  1
  H  H11  1  0.84238203  0.66797820  0.99060910  1
  H  H12  1  0.66217712  0.84310726  0.48832228  1
  H  H13  1  0.15762602  0.33202292  0.00938981  1
  H  H14  1  0.42633075  0.07548973  0.05659641  1
  H  H15  1  0.92800977  0.57400427  0.44359188  1
  H  H16  1  0.57367166  0.92450628  0.94340531  1
  H  H17  1  0.07198228  0.42600068  0.55640919  1
  H  H18  1  0.89113268  0.20826319  0.04407943  1
  H  H19  1  0.78437383  0.12623521  0.45952377  1
  H  H20  1  0.10886734  0.79173408  0.95591491  1
  H  H21  1  0.21562314  0.87376957  0.54047244  1
  C  C22  1  0.63201634  0.11434246  0.17483200  1
  C  C23  1  0.88384282  0.37399630  0.32600049  1
  C  C24  1  0.36798595  0.88565031  0.82517210  1
  C  C25  1  0.11615322  0.62600705  0.67399719  1
  C  C26  1  0.50284497  0.11627681  0.22874714  1
  C  C27  1  0.88363246  0.50127681  0.27118210  1
  C  C28  1  0.49715730  0.88371571  0.77125617  1
  C  C29  1  0.11636504  0.49872640  0.72881688  1
  C  C30  1  0.47358863  0.14331147  0.35654593  1
  C  C31  1  0.85639349  0.53137293  0.14381599  1
  C  C32  1  0.52641339  0.85668036  0.64345748  1
  C  C33  1  0.14360894  0.46862907  0.85618242  1
  C  C34  1  0.35970666  0.13843974  0.41357665  1
  C  C35  1  0.86170563  0.64570066  0.08845889  1
  C  C36  1  0.64029288  0.86155580  0.58642478  1
  C  C37  1  0.13829999  0.35430003  0.91153970  1
  C  C38  1  0.27230737  0.10863531  0.33993419  1
  C  C39  1  0.89344109  0.73170152  0.16304517  1
  C  C40  1  0.72769091  0.89136391  0.66006574  1
  C  C41  1  0.10656454  0.26829799  0.83695544  1
  C  C42  1  0.29665609  0.08746879  0.21293824  1
  C  C43  1  0.91639301  0.70495141  0.28937559  1
  C  C44  1  0.70334286  0.91253101  0.78706140  1
  C  C45  1  0.08360669  0.29505052  0.71062569  1
  C  C46  1  0.41126877  0.09115372  0.15522106  1
  C  C47  1  0.91134843  0.59085615  0.34527921  1
  C  C48  1  0.58873272  0.90884186  0.84478047  1
  C  C49  1  0.08864696  0.40914761  0.65472173  1
  N  N50  1  0.15622465  0.09144726  0.36654567  1
  N  N51  1  0.91527665  0.84521962  0.13706901  1
  N  N52  1  0.84376985  0.90855810  0.63345213  1
  N  N53  1  0.08473409  0.15477644  0.86293079  1
  N  N54  1  0.11700157  0.05010972  0.26331632  1
  N  N55  1  0.95500765  0.88494927  0.23849128  1
  N  N56  1  0.88299186  0.94989811  0.73668042  1
  N  N57  1  0.04499765  0.11504953  0.76151010  1
  N  N58  1  0.19325171  0.06055565  0.16855741  1
  N  N59  1  0.94934312  0.80571478  0.33400968  1
  N  N60  1  0.80674314  0.93945166  0.83143997  1
  N  N61  1  0.05065714  0.19428668  0.66599188  1
  O  O62  1  0.93921424  0.11032469  0.06351734  1
  O  O63  1  0.88363026  0.07190527  0.44858114  1
  O  O64  1  0.06078721  0.88967323  0.93647871  1
  O  O65  1  0.11636704  0.92810007  0.55141829  1
  O  O66  1  0.70439681  0.14716439  0.24491400  1
  O  O67  1  0.85314938  0.29912008  0.25670707  1
  O  O68  1  0.29560314  0.85283127  0.75508826  1
  O  O69  1  0.14684718  0.70088352  0.74329049  1
  O  O70  1  0.66329025  0.07779153  0.06102558  1
  O  O71  1  0.91768323  0.34573791  0.44044710  1
  O  O72  1  0.33671221  0.92219854  0.93897868  1
  O  O73  1  0.08231213  0.65426555  0.55955105  1
