# generated using pymatgen
data_CrCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.85625970
_cell_length_b   10.85204323
_cell_length_c   10.85474812
_cell_angle_alpha   89.23766199
_cell_angle_beta   89.02713393
_cell_angle_gamma   63.81842988
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoNiH8C14(NO)6
_chemical_formula_sum   'Cr2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1147.42945417
_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
  Cr  Cr0  1  0.90163320  0.09860916  0.24961564  1
  Cr  Cr1  1  0.09836555  0.90139332  0.75038336  1
  Ni  Ni2  1  0.85707575  0.98165217  -0.00655064  1
  Co  Co3  1  0.01869957  0.14034945  0.50739183  1
  Ni  Ni4  1  0.14292718  0.01834541  1.00654864  1
  Co  Co5  1  0.98129619  0.85965620  0.49260827  1
  H  H6  1  0.53613514  0.16795372  0.41447379  1
  H  H7  1  0.83091416  0.46465134  0.08540018  1
  H  H8  1  0.46386772  0.83203605  0.58553006  1
  H  H9  1  0.16909101  0.53534944  0.91459648  1
  H  H10  1  0.33201336  0.15516837  0.51119962  1
  H  H11  1  0.84252370  0.66898796  0.98839388  1
  H  H12  1  0.66798338  0.84483047  0.48880181  1
  H  H13  1  0.15748354  0.33101403  0.01160457  1
  H  H14  1  0.42473210  0.07430345  0.05763579  1
  H  H15  1  0.92924936  0.57586429  0.44058149  1
  H  H16  1  0.57526885  0.92569411  0.94236549  1
  H  H17  1  0.07074270  0.42414153  0.55941901  1
  H  H18  1  0.87692364  0.20556285  0.04092779  1
  H  H19  1  0.79197455  0.12345947  0.45860924  1
  H  H20  1  0.12307649  0.79443856  0.95906978  1
  H  H21  1  0.20802169  0.87654479  0.54138768  1
  C  C22  1  0.62641973  0.11619308  0.17405302  1
  C  C23  1  0.88417232  0.37535175  0.32626698  1
  C  C24  1  0.37358271  0.88379789  0.82594953  1
  C  C25  1  0.11582384  0.62465182  0.67373153  1
  C  C26  1  0.49805361  0.11666567  0.22988686  1
  C  C27  1  0.88398249  0.50278732  0.26933220  1
  C  C28  1  0.50194922  0.88332669  0.77011647  1
  C  C29  1  0.11601529  0.49721590  0.73066645  1
  C  C30  1  0.46831450  0.14289833  0.35775666  1
  C  C31  1  0.85661865  0.53243428  0.14176147  1
  C  C32  1  0.53168740  0.85709356  0.64224668  1
  C  C33  1  0.14338422  0.46756728  0.85823621  1
  C  C34  1  0.35409667  0.13718906  0.41303895  1
  C  C35  1  0.86161332  0.64684463  0.08627729  1
  C  C36  1  0.64590206  0.86280748  0.58696273  1
  C  C37  1  0.13839234  0.35315614  0.91372126  1
  C  C38  1  0.26704660  0.10647815  0.33891906  1
  C  C39  1  0.89341925  0.73418029  0.15950567  1
  C  C40  1  0.73295148  0.89352136  0.66108072  1
  C  C41  1  0.10658603  0.26581986  0.84049408  1
  C  C42  1  0.29289854  0.08396714  0.21196427  1
  C  C43  1  0.91774862  0.70711123  0.28595684  1
  C  C44  1  0.70710246  0.91603006  0.78803608  1
  C  C45  1  0.08225051  0.29289117  0.71404392  1
  C  C46  1  0.40779972  0.09005302  0.15627737  1
  C  C47  1  0.91188701  0.59263204  0.34222177  1
  C  C48  1  0.59220253  0.90994195  0.84372447  1
  C  C49  1  0.08810868  0.40737179  0.65777822  1
  N  N50  1  0.15230330  0.08732747  0.36599462  1
  N  N51  1  0.91227901  0.84905648  0.13274544  1
  N  N52  1  0.84769103  0.91267766  0.63400320  1
  N  N53  1  0.08772996  0.15094097  0.86725414  1
  N  N54  1  0.10913457  0.05429162  0.26205198  1
  N  N55  1  0.94699773  0.89105136  0.23657583  1
  N  N56  1  0.89086193  0.94571237  0.73794569  1
  N  N57  1  0.05300560  0.10894883  0.76342518  1
  N  N58  1  0.19107779  0.05434001  0.16722061  1
  N  N59  1  0.94917725  0.80760836  0.33064406  1
  N  N60  1  0.80892146  0.94566130  0.83277795  1
  N  N61  1  0.05082115  0.19239387  0.66935721  1
  O  O62  1  0.92587936  0.11046551  0.06880091  1
  O  O63  1  0.88707591  0.07405859  0.43055007  1
  O  O64  1  0.07412018  0.88953608  0.93119723  1
  O  O65  1  0.11292137  0.92594669  0.56944884  1
  O  O66  1  0.70005285  0.14751918  0.24754597  1
  O  O67  1  0.85383708  0.30022107  0.25344736  1
  O  O68  1  0.29994508  0.85248000  0.75245442  1
  O  O69  1  0.14616022  0.69978217  0.74655070  1
  O  O70  1  0.65424589  0.08464562  0.06168975  1
  O  O71  1  0.91405290  0.35010623  0.43901514  1
  O  O72  1  0.34575820  0.91533881  0.93831399  1
  O  O73  1  0.08594203  0.64989747  0.56098362  1
