# generated using pymatgen
data_MnCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89809598
_cell_length_b   10.88907789
_cell_length_c   10.86777180
_cell_angle_alpha   89.20984723
_cell_angle_beta   89.01856519
_cell_angle_gamma   63.66143276
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1155.59932105
_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
  Mn  Mn0  1  0.89520096  0.10522862  0.25104841  1
  Mn  Mn1  1  0.10479916  0.89477586  0.74894933  1
  Co  Co2  1  0.85922987  0.98339803  -0.00519020  1
  Ni  Ni3  1  0.01642831  0.14129951  0.50596914  1
  Co  Co4  1  0.14077128  0.01660097  1.00518988  1
  Ni  Ni5  1  0.98356778  0.85870405  0.49403130  1
  H  H6  1  0.53737139  0.16701355  0.41254519  1
  H  H7  1  0.83144175  0.46214014  0.09024119  1
  H  H8  1  0.46263263  0.83297598  0.58745939  1
  H  H9  1  0.16856212  0.53786133  0.90975523  1
  H  H10  1  0.33268313  0.15664854  0.51099712  1
  H  H11  1  0.84190384  0.66634909  0.99099233  1
  H  H12  1  0.66731600  0.84334969  0.48900444  1
  H  H13  1  0.15810469  0.33365099  0.00900593  1
  H  H14  1  0.42413176  0.07444356  0.05686827  1
  H  H15  1  0.92829006  0.57577227  0.44414591  1
  H  H16  1  0.57586583  0.92555357  0.94313418  1
  H  H17  1  0.07170135  0.42423225  0.55585379  1
  H  H18  1  0.87437711  0.21126497  0.02657041  1
  H  H19  1  0.79178361  0.12428446  0.47519774  1
  H  H20  1  0.12562220  0.78873585  0.97342664  1
  H  H21  1  0.20821322  0.87572220  0.52479961  1
  C  C22  1  0.62116361  0.11875101  0.17265653  1
  C  C23  1  0.88218917  0.37737053  0.32873755  1
  C  C24  1  0.37883929  0.88124003  0.82734651  1
  C  C25  1  0.11780590  0.62263488  0.67125980  1
  C  C26  1  0.49488707  0.11897182  0.22913691  1
  C  C27  1  0.88212417  0.50406649  0.27292667  1
  C  C28  1  0.50511549  0.88102123  0.77086663  1
  C  C29  1  0.11787316  0.49593784  0.72707206  1
  C  C30  1  0.46744824  0.14448302  0.35706668  1
  C  C31  1  0.85522216  0.53169234  0.14529440  1
  C  C32  1  0.53255466  0.85550862  0.64293702  1
  C  C33  1  0.14478020  0.46830906  0.85470321  1
  C  C34  1  0.35438953  0.13890232  0.41299364  1
  C  C35  1  0.86043889  0.64460484  0.08875626  1
  C  C36  1  0.64561073  0.86109416  0.58700850  1
  C  C37  1  0.13956576  0.35539513  0.91124172  1
  C  C38  1  0.26821144  0.10810271  0.33871560  1
  C  C39  1  0.89147593  0.73101891  0.16246275  1
  C  C40  1  0.73178574  0.89189729  0.66128612  1
  C  C41  1  0.10852938  0.26897983  0.83753584  1
  C  C42  1  0.29482388  0.08392953  0.21199894  1
  C  C43  1  0.91722634  0.70471146  0.28888405  1
  C  C44  1  0.70517647  0.91606802  0.78800330  1
  C  C45  1  0.08277325  0.29529129  0.71111589  1
  C  C46  1  0.40695699  0.09140497  0.15525842  1
  C  C47  1  0.91062666  0.59234159  0.34597909  1
  C  C48  1  0.59304471  0.90859054  0.84474456  1
  C  C49  1  0.08936928  0.40766250  0.65402035  1
  N  N50  1  0.15676152  0.08490946  0.36570768  1
  N  N51  1  0.91313676  0.84371583  0.13517134  1
  N  N52  1  0.84323114  0.91509653  0.63429074  1
  N  N53  1  0.08687309  0.15627986  0.86482658  1
  N  N54  1  0.12353741  0.03886860  0.26479144  1
  N  N55  1  0.95973294  0.87746194  0.23536563  1
  N  N56  1  0.87645698  0.96113731  0.73520567  1
  N  N57  1  0.04027225  0.12253660  0.76463440  1
  N  N58  1  0.19869369  0.04583295  0.16885797  1
  N  N59  1  0.95378099  0.80247846  0.33135178  1
  N  N60  1  0.80130539  0.95416858  0.83114122  1
  N  N61  1  0.04622091  0.19752187  0.66864796  1
  O  O62  1  0.92549469  0.11744923  0.05628170  1
  O  O63  1  0.88495434  0.07373449  0.44351269  1
  O  O64  1  0.07450534  0.88255104  0.94371406  1
  O  O65  1  0.11504381  0.92626926  0.55648753  1
  O  O66  1  0.68898721  0.15621076  0.24393913  1
  O  O67  1  0.84150972  0.31196680  0.25738412  1
  O  O68  1  0.31101181  0.84378763  0.75606214  1
  O  O69  1  0.15848537  0.68803713  0.74261456  1
  O  O70  1  0.65172955  0.08008357  0.06132180  1
  O  O71  1  0.92346345  0.34425366  0.43873678  1
  O  O72  1  0.34827481  0.91990346  0.93868203  1
  O  O73  1  0.07653124  0.65575036  0.56126122  1
