# generated using pymatgen
data_VCrNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87003602
_cell_length_b   10.86036514
_cell_length_c   10.85776728
_cell_angle_alpha   89.16291387
_cell_angle_beta   88.99843157
_cell_angle_gamma   63.74026504
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrNiH8C14(NO)6
_chemical_formula_sum   'V2 Cr2 Ni2 H16 C28 N12 O12'
_cell_volume   1149.29426917
_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  0.90945793  0.08815008  0.24756714  1
  Ni  Ni1  1  0.09054106  0.91185239  0.75243155  1
  V  V2  1  0.85467747  0.98748028  0.00128919  1
  Cr  Cr3  1  0.01284996  0.14236889  0.50354477  1
  V  V4  1  0.14532304  0.01251764  0.99871059  1
  Cr  Cr5  1  0.98714565  0.85763634  0.49645489  1
  H  H6  1  0.53580871  0.16880590  0.41409768  1
  H  H7  1  0.82928228  0.46009387  0.08830879  1
  H  H8  1  0.46419400  0.83118417  0.58590567  1
  H  H9  1  0.17072274  0.53990756  0.91168749  1
  H  H10  1  0.33222151  0.15569213  0.51024454  1
  H  H11  1  0.84128032  0.66296604  0.98928070  1
  H  H12  1  0.66777554  0.84430595  0.48975610  1
  H  H13  1  0.15872745  0.33703494  0.01071758  1
  H  H14  1  0.42594132  0.07532842  0.05601494  1
  H  H15  1  0.92809861  0.57411629  0.44286811  1
  H  H16  1  0.57405991  0.92466804  0.94398554  1
  H  H17  1  0.07189368  0.42588890  0.55713239  1
  H  H18  1  0.87361867  0.21647533  0.04114788  1
  H  H19  1  0.79175874  0.10864607  0.45669052  1
  H  H20  1  0.12638067  0.78352589  0.95884823  1
  H  H21  1  0.20823634  0.89135663  0.54330624  1
  C  C22  1  0.62654816  0.11694770  0.17473005  1
  C  C23  1  0.88629757  0.36828203  0.32551916  1
  C  C24  1  0.37345426  0.88304443  0.82527317  1
  C  C25  1  0.11369821  0.63172172  0.67447946  1
  C  C26  1  0.49921360  0.11693938  0.22929706  1
  C  C27  1  0.88458321  0.49731039  0.27168497  1
  C  C28  1  0.50078906  0.88305289  0.77070530  1
  C  C29  1  0.11541374  0.50269332  0.72831387  1
  C  C30  1  0.46902079  0.14297725  0.35703488  1
  C  C31  1  0.85628473  0.52694103  0.14421834  1
  C  C32  1  0.53098102  0.85701485  0.64296752  1
  C  C33  1  0.14371737  0.47306136  0.85577966  1
  C  C34  1  0.35450826  0.13741495  0.41212823  1
  C  C35  1  0.86071217  0.64092105  0.08716293  1
  C  C36  1  0.64549111  0.86258114  0.58787293  1
  C  C37  1  0.13929382  0.35908003  0.91283557  1
  C  C38  1  0.26846596  0.10678902  0.33695025  1
  C  C39  1  0.89155869  0.72810257  0.16015833  1
  C  C40  1  0.73153289  0.89321001  0.66304922  1
  C  C41  1  0.10844682  0.27189814  0.83984132  1
  C  C42  1  0.29495466  0.08554870  0.21024991  1
  C  C43  1  0.91471277  0.70328217  0.28662254  1
  C  C44  1  0.70504579  0.91444861  0.78974979  1
  C  C45  1  0.08528668  0.29672019  0.71337794  1
  C  C46  1  0.40935766  0.09057976  0.15463558  1
  C  C47  1  0.91110074  0.58886752  0.34445700  1
  C  C48  1  0.59064411  0.90941540  0.84536538  1
  C  C49  1  0.08889409  0.41113674  0.65554312  1
  N  N50  1  0.15506480  0.08433609  0.36255203  1
  N  N51  1  0.90790832  0.84450602  0.13306280  1
  N  N52  1  0.84493061  0.91566868  0.63744591  1
  N  N53  1  0.09210369  0.15549196  0.86693865  1
  N  N54  1  0.11538143  0.04580952  0.26040161  1
  N  N55  1  0.95146279  0.88311536  0.23549241  1
  N  N56  1  0.88461401  0.95419563  0.73959618  1
  N  N57  1  0.04854304  0.11688427  0.76451103  1
  N  N58  1  0.19415125  0.05332439  0.16508956  1
  N  N59  1  0.94276544  0.80650250  0.33047219  1
  N  N60  1  0.80584717  0.94667735  0.83490860  1
  N  N61  1  0.05723404  0.19349909  0.66953025  1
  O  O62  1  0.92768423  0.11715358  0.05158159  1
  O  O63  1  0.88979374  0.06136670  0.43714084  1
  O  O64  1  0.07231376  0.88284751  0.94841630  1
  O  O65  1  0.11020172  0.93863799  0.56285778  1
  O  O66  1  0.70144050  0.14695803  0.24417009  1
  O  O67  1  0.85242597  0.29614803  0.25614632  1
  O  O68  1  0.29856018  0.85303842  0.75583172  1
  O  O69  1  0.14757011  0.70385593  0.74385196  1
  O  O70  1  0.65468923  0.08388338  0.05972774  1
  O  O71  1  0.92387642  0.33681163  0.43906179  1
  O  O72  1  0.34531523  0.91610446  0.94027628  1
  O  O73  1  0.07611931  0.66319214  0.56093682  1
