# generated using pymatgen
data_VCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86479935
_cell_length_b   10.85951639
_cell_length_c   10.85189989
_cell_angle_alpha   89.26636801
_cell_angle_beta   89.05244357
_cell_angle_gamma   63.78179924
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCoNiH8C14(NO)6
_chemical_formula_sum   'V2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1148.47098889
_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
  Co  Co0  1  0.91510147  0.08736818  0.25249107  1
  Co  Co1  1  0.08490771  0.91263082  0.74750728  1
  V  V2  1  0.85306394  0.98917374  0.00145002  1
  Ni  Ni3  1  0.01523751  0.14219048  0.50509801  1
  V  V4  1  0.14693707  0.01082601  0.99855010  1
  Ni  Ni5  1  0.98475992  0.85781466  0.49490162  1
  H  H6  1  0.53568772  0.16753031  0.41418965  1
  H  H7  1  0.83056635  0.46418544  0.08739108  1
  H  H8  1  0.46431422  0.83245923  0.58581421  1
  H  H9  1  0.16943886  0.53581527  0.91260570  1
  H  H10  1  0.33154135  0.15504660  0.51124843  1
  H  H11  1  0.84284762  0.66797657  0.98871544  1
  H  H12  1  0.66845433  0.84495220  0.48875272  1
  H  H13  1  0.15715942  0.33202457  0.01128349  1
  H  H14  1  0.42475172  0.07372573  0.05655694  1
  H  H15  1  0.92996422  0.57553711  0.44210388  1
  H  H16  1  0.57524823  0.92627081  0.94344368  1
  H  H17  1  0.07002811  0.42446813  0.55789692  1
  H  H18  1  0.87508919  0.21518078  0.04606044  1
  H  H19  1  0.79048449  0.12424634  0.45742475  1
  H  H20  1  0.12491149  0.78481890  0.95393900  1
  H  H21  1  0.20951251  0.87575836  0.54257148  1
  C  C22  1  0.62521145  0.11690116  0.17539726  1
  C  C23  1  0.88425469  0.37324520  0.32472320  1
  C  C24  1  0.37479146  0.88308961  0.82460605  1
  C  C25  1  0.11574137  0.62675954  0.67527451  1
  C  C26  1  0.49765870  0.11664200  0.22972341  1
  C  C27  1  0.88397878  0.50241907  0.27049557  1
  C  C28  1  0.50234404  0.88334925  0.77028005  1
  C  C29  1  0.11601967  0.49758559  0.72950243  1
  C  C30  1  0.46762931  0.14269544  0.35756625  1
  C  C31  1  0.85657636  0.53180417  0.14341210  1
  C  C32  1  0.53237093  0.85729633  0.64243706  1
  C  C33  1  0.14342633  0.46819824  0.85658490  1
  C  C34  1  0.35339432  0.13718420  0.41291515  1
  C  C35  1  0.86158935  0.64574297  0.08678940  1
  C  C36  1  0.64660229  0.86281188  0.58708591  1
  C  C37  1  0.13841645  0.35425846  0.91320933  1
  C  C38  1  0.26668287  0.10641591  0.33806389  1
  C  C39  1  0.89304140  0.73192789  0.16089471  1
  C  C40  1  0.73331416  0.89358261  0.66193519  1
  C  C41  1  0.10696394  0.26807294  0.83910443  1
  C  C42  1  0.29406004  0.08385662  0.21129968  1
  C  C43  1  0.91843977  0.70586795  0.28715740  1
  C  C44  1  0.70594019  0.91614010  0.78870033  1
  C  C45  1  0.08155886  0.29413613  0.71284290  1
  C  C46  1  0.40804238  0.08978476  0.15517950  1
  C  C47  1  0.91238936  0.59187121  0.34380815  1
  C  C48  1  0.59196016  0.91020990  0.84482165  1
  C  C49  1  0.08760626  0.40813436  0.65619191  1
  N  N50  1  0.15031319  0.08981315  0.36359697  1
  N  N51  1  0.90730022  0.84950197  0.13568217  1
  N  N52  1  0.84967996  0.91019274  0.63640237  1
  N  N53  1  0.09271068  0.15049520  0.86431637  1
  N  N54  1  0.10886168  0.05515302  0.26056428  1
  N  N55  1  0.94630085  0.89063245  0.24020909  1
  N  N56  1  0.89112923  0.94485753  0.73943455  1
  N  N57  1  0.05370412  0.10936709  0.75979118  1
  N  N58  1  0.19203043  0.05431495  0.16532804  1
  N  N59  1  0.94785312  0.80822335  0.33270428  1
  N  N60  1  0.80796557  0.94568718  0.83467201  1
  N  N61  1  0.05214460  0.19177921  0.66729670  1
  O  O62  1  0.92940300  0.11554269  0.05057219  1
  O  O63  1  0.88831902  0.07093000  0.44190095  1
  O  O64  1  0.07059984  0.88445720  0.94942482  1
  O  O65  1  0.11167843  0.92907500  0.55809721  1
  O  O66  1  0.69903747  0.14784032  0.24509073  1
  O  O67  1  0.85336048  0.30114034  0.25077368  1
  O  O68  1  0.30096209  0.85215548  0.75491141  1
  O  O69  1  0.14663637  0.69886254  0.74922542  1
  O  O70  1  0.65321437  0.08361902  0.06023495  1
  O  O71  1  0.91692503  0.34538790  0.43747290  1
  O  O72  1  0.34678889  0.91636566  0.93976895  1
  O  O73  1  0.08306949  0.65461508  0.56252499  1
