# generated using pymatgen
data_MnCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88239613
_cell_length_b   10.87963384
_cell_length_c   10.88375195
_cell_angle_alpha   89.19183515
_cell_angle_beta   88.99071602
_cell_angle_gamma   63.71071155
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1155.10952073
_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  0.90145964  0.09631765  0.24792789  1
  Co  Co1  1  0.09853905  0.90368491  0.75207048  1
  Ni  Ni2  1  0.85983121  0.98456178  -0.00745667  1
  Mn  Mn3  1  -0.00124024  0.14776450  0.50367976  1
  Ni  Ni4  1  0.14016917  0.01543924  1.00745604  1
  Mn  Mn5  1  1.00123781  0.85224149  0.49631963  1
  H  H6  1  0.53788093  0.16832119  0.41041100  1
  H  H7  1  0.83003755  0.46095908  0.08389399  1
  H  H8  1  0.46212258  0.83166833  0.58959234  1
  H  H9  1  0.16996711  0.53904136  0.91610267  1
  H  H10  1  0.33361456  0.15489544  0.50659652  1
  H  H11  1  0.83967944  0.66490497  0.98300145  1
  H  H12  1  0.66638431  0.84510236  0.49340487  1
  H  H13  1  0.16032930  0.33509409  0.01699607  1
  H  H14  1  0.42778670  0.07759655  0.05348371  1
  H  H15  1  0.92841770  0.57663087  0.43532235  1
  H  H16  1  0.57221282  0.92239879  0.94651904  1
  H  H17  1  0.07157424  0.42337468  0.56467802  1
  H  H18  1  0.87559535  0.20649040  0.04120141  1
  H  H19  1  0.77531505  0.11562282  0.44499417  1
  H  H20  1  0.12440372  0.79351090  0.95879515  1
  H  H21  1  0.22468374  0.88438101  0.55500190  1
  C  C22  1  0.62707513  0.11804367  0.17211659  1
  C  C23  1  0.88133517  0.37802049  0.32432148  1
  C  C24  1  0.37292769  0.88194810  0.82788543  1
  C  C25  1  0.11866049  0.62198378  0.67567704  1
  C  C26  1  0.49952687  0.11724760  0.22669679  1
  C  C27  1  0.88113932  0.50380792  0.26551219  1
  C  C28  1  0.50047516  0.88274548  0.77330556  1
  C  C29  1  0.11885808  0.49619535  0.73448598  1
  C  C30  1  0.47046601  0.14290156  0.35408516  1
  C  C31  1  0.85425686  0.53091209  0.13809563  1
  C  C32  1  0.52953616  0.85709065  0.64591717  1
  C  C33  1  0.14574575  0.46908925  0.86190178  1
  C  C34  1  0.35699231  0.13634846  0.40899785  1
  C  C35  1  0.85873124  0.64435630  0.08081037  1
  C  C36  1  0.64300760  0.86364775  0.59100371  1
  C  C37  1  0.14127454  0.35564380  0.91918766  1
  C  C38  1  0.27200567  0.10482221  0.33408304  1
  C  C39  1  0.88995192  0.73200991  0.15303919  1
  C  C40  1  0.72799225  0.89517732  0.66591788  1
  C  C41  1  0.11005303  0.26798992  0.84695981  1
  C  C42  1  0.29740163  0.08339501  0.20726917  1
  C  C43  1  0.91494252  0.70559562  0.27919510  1
  C  C44  1  0.70259745  0.91660290  0.79273234  1
  C  C45  1  0.08505650  0.29440647  0.72080478  1
  C  C46  1  0.41059801  0.09112130  0.15203126  1
  C  C47  1  0.90943433  0.59320540  0.33743330  1
  C  C48  1  0.58940260  0.90887408  0.84797087  1
  C  C49  1  0.09056076  0.40679855  0.66256640  1
  N  N50  1  0.15943364  0.08405525  0.36175218  1
  N  N51  1  0.91319693  0.84435523  0.12668041  1
  N  N52  1  0.84056043  0.91595052  0.63824677  1
  N  N53  1  0.08681158  0.15564261  0.87331882  1
  N  N54  1  0.11887048  0.04761657  0.25975834  1
  N  N55  1  0.95382667  0.88149470  0.22902520  1
  N  N56  1  0.88112498  0.95238762  0.74024057  1
  N  N57  1  0.04617730  0.11850461  0.77097544  1
  N  N58  1  0.19617258  0.05154773  0.16412448  1
  N  N59  1  0.95252466  0.80137994  0.32210368  1
  N  N60  1  0.80382490  0.94845399  0.83587537  1
  N  N61  1  0.04747301  0.19862240  0.67789751  1
  O  O62  1  0.92760128  0.11056908  0.06473245  1
  O  O63  1  0.87465056  0.06849470  0.43443904  1
  O  O64  1  0.07239852  0.88943299  0.93526572  1
  O  O65  1  0.12534863  0.93150941  0.56556027  1
  O  O66  1  0.69525253  0.15375786  0.24502935  1
  O  O67  1  0.84978755  0.30376059  0.25529516  1
  O  O68  1  0.30474806  0.84623726  0.75497270  1
  O  O69  1  0.15020809  0.69624293  0.74470365  1
  O  O70  1  0.65705697  0.08265275  0.06018690  1
  O  O71  1  0.91595128  0.35335288  0.43717573  1
  O  O72  1  0.34294933  0.91733584  0.93981662  1
  O  O73  1  0.08404379  0.64665194  0.56282280  1
