# generated using pymatgen
data_CrCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86766607
_cell_length_b   10.85930467
_cell_length_c   10.85634249
_cell_angle_alpha   89.18654437
_cell_angle_beta   89.01823604
_cell_angle_gamma   63.75224427
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoNiH8C14(NO)6
_chemical_formula_sum   'Cr2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1148.90855015
_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  0.90511628  0.09020384  0.24486186  1
  Co  Co1  1  0.09488586  0.90979851  0.75513768  1
  Ni  Ni2  1  0.85813902  0.98376594  -0.00579434  1
  Cr  Cr3  1  0.01258819  0.14223316  0.50200504  1
  Ni  Ni4  1  0.14186085  0.01623336  1.00579355  1
  Cr  Cr5  1  0.98740863  0.85777198  0.49799306  1
  H  H6  1  0.53660565  0.16811568  0.41349836  1
  H  H7  1  0.83104328  0.46194497  0.08770987  1
  H  H8  1  0.46339518  0.83187438  0.58650853  1
  H  H9  1  0.16896168  0.53805672  0.91228633  1
  H  H10  1  0.33237763  0.15534136  0.51152964  1
  H  H11  1  0.84232276  0.66608993  0.99031523  1
  H  H12  1  0.66761599  0.84465688  0.48847177  1
  H  H13  1  0.15768469  0.33391079  0.00968307  1
  H  H14  1  0.42527847  0.07418481  0.05694916  1
  H  H15  1  0.92910838  0.57438663  0.44364801  1
  H  H16  1  0.57471681  0.92581288  0.94305080  1
  H  H17  1  0.07088369  0.42561932  0.55635262  1
  H  H18  1  0.87515018  0.21032251  0.04038729  1
  H  H19  1  0.79213248  0.11179607  0.45392313  1
  H  H20  1  0.12485063  0.78967709  0.95960919  1
  H  H21  1  0.20786509  0.88820797  0.54607367  1
  C  C22  1  0.62678270  0.11636270  0.17555958  1
  C  C23  1  0.88557224  0.37085187  0.32577055  1
  C  C24  1  0.37322103  0.88362699  0.82444453  1
  C  C25  1  0.11442374  0.62915263  0.67422792  1
  C  C26  1  0.49786702  0.11690948  0.22985811  1
  C  C27  1  0.88471823  0.49931728  0.27171710  1
  C  C28  1  0.50213618  0.88308290  0.77014585  1
  C  C29  1  0.11527955  0.50068647  0.72828208  1
  C  C30  1  0.46850336  0.14298480  0.35748232  1
  C  C31  1  0.85697000  0.52944324  0.14407733  1
  C  C32  1  0.53149801  0.85700722  0.64252240  1
  C  C33  1  0.14303248  0.47055860  0.85592081  1
  C  C34  1  0.35444626  0.13754824  0.41333365  1
  C  C35  1  0.86170413  0.64359993  0.08808957  1
  C  C36  1  0.64555187  0.86244827  0.58666876  1
  C  C37  1  0.13830156  0.35640032  0.91190908  1
  C  C38  1  0.26830990  0.10730111  0.33837209  1
  C  C39  1  0.89283608  0.73070347  0.16166203  1
  C  C40  1  0.73168888  0.89269709  0.66162850  1
  C  C41  1  0.10716925  0.26929628  0.83833747  1
  C  C42  1  0.29438986  0.08393789  0.21181603  1
  C  C43  1  0.91519744  0.70411578  0.28814704  1
  C  C44  1  0.70561178  0.91605938  0.78818488  1
  C  C45  1  0.08480140  0.29588740  0.71185353  1
  C  C46  1  0.40857857  0.09003404  0.15558137  1
  C  C47  1  0.91165730  0.58979551  0.34525813  1
  C  C48  1  0.59142448  0.90996005  0.84441976  1
  C  C49  1  0.08833813  0.41020929  0.65474201  1
  N  N50  1  0.15280618  0.08903448  0.36405142  1
  N  N51  1  0.91069641  0.84652402  0.13520060  1
  N  N52  1  0.84718752  0.91097147  0.63594588  1
  N  N53  1  0.08931257  0.15347297  0.86479750  1
  N  N54  1  0.11358016  0.05032398  0.26068402  1
  N  N55  1  0.94733353  0.88648054  0.23742887  1
  N  N56  1  0.88641379  0.94968471  0.73931166  1
  N  N57  1  0.05267289  0.11351793  0.76257048  1
  N  N58  1  0.19233285  0.05385571  0.16688551  1
  N  N59  1  0.94247398  0.80735202  0.33288908  1
  N  N60  1  0.80766767  0.94614596  0.83311271  1
  N  N61  1  0.05752438  0.19265129  0.66711156  1
  O  O62  1  0.92771708  0.11295590  0.05869328  1
  O  O63  1  0.89099205  0.06093393  0.44007651  1
  O  O64  1  0.07228372  0.88704409  0.94130442  1
  O  O65  1  0.10900592  0.93906979  0.55992323  1
  O  O66  1  0.69823562  0.14721637  0.24993714  1
  O  O67  1  0.85028538  0.30027290  0.25610364  1
  O  O68  1  0.30176678  0.85277863  0.75006365  1
  O  O69  1  0.14971101  0.69973234  0.74389438  1
  O  O70  1  0.65579162  0.08387718  0.06280354  1
  O  O71  1  0.92305939  0.33903266  0.43942866  1
  O  O72  1  0.34421145  0.91610993  0.93720052  1
  O  O73  1  0.07693566  0.66097095  0.56057018  1
