# generated using pymatgen
data_MnCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.89220442
_cell_length_b   10.88617431
_cell_length_c   10.88751324
_cell_angle_alpha   89.15991059
_cell_angle_beta   88.96972196
_cell_angle_gamma   63.67690878
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1156.89680654
_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
  Ni  Ni0  1  0.89726068  0.10092021  0.24851827  1
  Ni  Ni1  1  0.10273894  0.89908286  0.75147985  1
  Co  Co2  1  0.85910528  0.98640264  -0.00785545  1
  Mn  Mn3  1  -0.00008974  0.14791028  0.50579751  1
  Co  Co4  1  0.14089514  0.01359488  1.00785587  1
  Mn  Mn5  1  1.00008663  0.85209493  0.49420344  1
  H  H6  1  0.53835878  0.16854849  0.41068072  1
  H  H7  1  0.82944254  0.45979790  0.08520194  1
  H  H8  1  0.46164545  0.83144101  0.58932275  1
  H  H9  1  0.17056181  0.54020352  0.91479368  1
  H  H10  1  0.33462210  0.15533941  0.50825754  1
  H  H11  1  0.83952595  0.66319694  0.98312976  1
  H  H12  1  0.66537715  0.84465838  0.49174439  1
  H  H13  1  0.16048318  0.33680284  0.01686776  1
  H  H14  1  0.42622837  0.07757530  0.05465941  1
  H  H15  1  0.92838387  0.57650919  0.43577139  1
  H  H16  1  0.57377193  0.92242095  0.94534335  1
  H  H17  1  0.07160741  0.42349548  0.56422866  1
  H  H18  1  0.87706818  0.20638424  0.04183897  1
  H  H19  1  0.77890099  0.11356699  0.44542002  1
  H  H20  1  0.12293037  0.79361691  0.95815713  1
  H  H21  1  0.22109726  0.88643748  0.55457749  1
  C  C22  1  0.62536224  0.11934962  0.17143028  1
  C  C23  1  0.88152307  0.37731985  0.32517388  1
  C  C24  1  0.37463974  0.88064356  0.82857221  1
  C  C25  1  0.11847266  0.62268422  0.67482400  1
  C  C26  1  0.49843639  0.11866854  0.22716479  1
  C  C27  1  0.88031718  0.50344338  0.26651949  1
  C  C28  1  0.50156638  0.88132497  0.77283852  1
  C  C29  1  0.11968007  0.49656012  0.73347861  1
  C  C30  1  0.47018559  0.14382814  0.35481563  1
  C  C31  1  0.85324199  0.53005615  0.13906137  1
  C  C32  1  0.52981563  0.85616404  0.64518654  1
  C  C33  1  0.14676018  0.46994604  0.86093616  1
  C  C34  1  0.35735922  0.13698061  0.41066089  1
  C  C35  1  0.85828223  0.64284077  0.08099518  1
  C  C36  1  0.64264174  0.86301545  0.58933849  1
  C  C37  1  0.14172366  0.35715962  0.91900237  1
  C  C38  1  0.27265643  0.10458568  0.33627242  1
  C  C39  1  0.89018581  0.72995983  0.15250457  1
  C  C40  1  0.72734184  0.89541425  0.66372841  1
  C  C41  1  0.10981918  0.27004053  0.84749453  1
  C  C42  1  0.29757845  0.08325967  0.20946945  1
  C  C43  1  0.91495588  0.70476910  0.27889519  1
  C  C44  1  0.70242009  0.91673855  0.79053208  1
  C  C45  1  0.08504166  0.29523388  0.72110526  1
  C  C46  1  0.40982159  0.09181904  0.15308135  1
  C  C47  1  0.90902539  0.59295059  0.33785801  1
  C  C48  1  0.59017935  0.90817597  0.84691808  1
  C  C49  1  0.09096904  0.40705359  0.66214132  1
  N  N50  1  0.16162699  0.08184410  0.36441706  1
  N  N51  1  0.91555449  0.84091163  0.12433747  1
  N  N52  1  0.83836809  0.91816022  0.63558260  1
  N  N53  1  0.08445988  0.15908341  0.87566254  1
  N  N54  1  0.11941234  0.04741456  0.26245013  1
  N  N55  1  0.95340978  0.88094734  0.22657096  1
  N  N56  1  0.88058251  0.95259006  0.73754961  1
  N  N57  1  0.04659615  0.11905137  0.77343167  1
  N  N58  1  0.19787176  0.04988648  0.16666443  1
  N  N59  1  0.95359832  0.80061350  0.31998739  1
  N  N60  1  0.80212589  0.95011430  0.83333596  1
  N  N61  1  0.04639897  0.19938854  0.68001507  1
  O  O62  1  0.92757922  0.11131180  0.06859830  1
  O  O63  1  0.87772458  0.06801459  0.43085210  1
  O  O64  1  0.07241858  0.88868936  0.93139888  1
  O  O65  1  0.12227450  0.93198927  0.56914686  1
  O  O66  1  0.69431481  0.15556637  0.24260079  1
  O  O67  1  0.84804243  0.30391445  0.25692563  1
  O  O68  1  0.30568536  0.84443068  0.75740074  1
  O  O69  1  0.15195238  0.69609037  0.74307148  1
  O  O70  1  0.65424191  0.08287320  0.05956167  1
  O  O71  1  0.91839656  0.35167195  0.43730394  1
  O  O72  1  0.34576140  0.91711708  0.94044184  1
  O  O73  1  0.08159863  0.64833162  0.56269377  1
