# generated using pymatgen
data_MnCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88558583
_cell_length_b   10.87723503
_cell_length_c   10.88433571
_cell_angle_alpha   89.19194381
_cell_angle_beta   88.98696938
_cell_angle_gamma   63.70905751
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1155.23776316
_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  0.90403846  0.09879598  0.25240387  1
  Co  Co1  1  0.09595901  0.90120773  0.74759436  1
  Mn  Mn2  1  0.85237436  1.00141493  -0.00345908  1
  Ni  Ni3  1  0.01565297  0.14030522  0.50739341  1
  Mn  Mn4  1  0.14762814  -0.00141677  1.00345875  1
  Ni  Ni5  1  0.98434393  0.85969980  0.49260724  1
  H  H6  1  0.53939477  0.16874604  0.41730047  1
  H  H7  1  0.83053887  0.46238047  0.09070482  1
  H  H8  1  0.46060913  0.83124359  0.58270269  1
  H  H9  1  0.16946565  0.53762045  0.90929183  1
  H  H10  1  0.33534783  0.15841789  0.51780885  1
  H  H11  1  0.84334997  0.66649467  0.99405320  1
  H  H12  1  0.66465025  0.84158002  0.48219228  1
  H  H13  1  0.15665829  0.33350514  0.00594452  1
  H  H14  1  0.42330366  0.07513679  0.06419776  1
  H  H15  1  0.92550044  0.57246532  0.44598869  1
  H  H16  1  0.57669697  0.92485782  0.93580469  1
  H  H17  1  0.07449113  0.42754084  0.55401134  1
  H  H18  1  0.88420876  0.22485935  0.05541835  1
  H  H19  1  0.79359314  0.12444120  0.45955190  1
  H  H20  1  0.11579216  0.77514141  0.94457694  1
  H  H21  1  0.20640442  0.87556364  0.54044326  1
  C  C22  1  0.62239518  0.11957034  0.17637983  1
  C  C23  1  0.88267238  0.37326493  0.32848098  1
  C  C24  1  0.37760752  0.88042020  0.82362357  1
  C  C25  1  0.11732313  0.62673886  0.67151714  1
  C  C26  1  0.49645971  0.11966230  0.23491705  1
  C  C27  1  0.88338640  0.50068073  0.27364518  1
  C  C28  1  0.50354219  0.88032985  0.76508547  1
  C  C29  1  0.11661041  0.49932306  0.72635330  1
  C  C30  1  0.46942981  0.14519380  0.36270482  1
  C  C31  1  0.85658071  0.52979131  0.14658573  1
  C  C32  1  0.53057254  0.85479877  0.63729758  1
  C  C33  1  0.14342148  0.47021052  0.85341189  1
  C  C34  1  0.35597581  0.14028950  0.41978887  1
  C  C35  1  0.86273179  0.64322572  0.09142311  1
  C  C36  1  0.64402442  0.85970701  0.58021312  1
  C  C37  1  0.13727383  0.35677489  0.90857468  1
  C  C38  1  0.26826319  0.11004053  0.34699880  1
  C  C39  1  0.89509731  0.72825065  0.16575281  1
  C  C40  1  0.73173520  0.88995933  0.65300218  1
  C  C41  1  0.10490871  0.27174913  0.83424600  1
  C  C42  1  0.29415497  0.08717980  0.22039082  1
  C  C43  1  0.91825129  0.70250809  0.29216721  1
  C  C44  1  0.70584343  0.91281913  0.77961064  1
  C  C45  1  0.08174748  0.29749462  0.70783250  1
  C  C46  1  0.40673180  0.09278160  0.16237914  1
  C  C47  1  0.91080486  0.58941485  0.34765695  1
  C  C48  1  0.59326851  0.90721323  0.83762297  1
  C  C49  1  0.08918979  0.41058958  0.65234252  1
  N  N50  1  0.15616388  0.08631979  0.37301650  1
  N  N51  1  0.91527460  0.84106543  0.13782535  1
  N  N52  1  0.84383194  0.91368487  0.62698383  1
  N  N53  1  0.08473705  0.15893116  0.86217336  1
  N  N54  1  0.11868456  0.04738562  0.26988145  1
  N  N55  1  0.95330776  0.88130398  0.23922809  1
  N  N56  1  0.88130982  0.95262048  0.73011882  1
  N  N57  1  0.04669732  0.11869543  0.76077243  1
  N  N58  1  0.19785249  0.05110552  0.17655300  1
  N  N59  1  0.95111206  0.80341822  0.33468969  1
  N  N60  1  0.80214232  0.94889960  0.82344696  1
  N  N61  1  0.04888636  0.19658443  0.66531100  1
  O  O62  1  0.93161949  0.12552226  0.06573877  1
  O  O63  1  0.88954015  0.07239876  0.43572710  1
  O  O64  1  0.06838021  0.87447893  0.93425985  1
  O  O65  1  0.11045840  0.92760505  0.56427104  1
  O  O66  1  0.69687637  0.14998977  0.24597175  1
  O  O67  1  0.84596599  0.30521507  0.25616529  1
  O  O68  1  0.30312368  0.85000508  0.75403059  1
  O  O69  1  0.15402850  0.69478974  0.74383256  1
  O  O70  1  0.64696103  0.08612755  0.06303175  1
  O  O71  1  0.91912999  0.34313085  0.43991112  1
  O  O72  1  0.35304396  0.91385949  0.93697229  1
  O  O73  1  0.08086640  0.65687182  0.56008684  1
