# generated using pymatgen
data_MnNi2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88352567
_cell_length_b   10.88000400
_cell_length_c   10.87948956
_cell_angle_alpha   89.16805194
_cell_angle_beta   88.96703378
_cell_angle_gamma   63.70332375
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNi2H8C14(NO)6
_chemical_formula_sum   'Mn2 Ni4 H16 C28 N12 O12'
_cell_volume   1154.73208299
_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  0.89756349  0.09992669  0.24812412  1
  Ni  Ni1  1  0.10243706  0.90007573  0.75187434  1
  Ni  Ni2  1  0.86022810  0.98434897  -0.00872804  1
  Mn  Mn3  1  0.00011302  0.14707513  0.50496931  1
  Ni  Ni4  1  0.13977283  0.01564956  1.00872783  1
  Mn  Mn5  1  0.99988470  0.85292997  0.49503046  1
  H  H6  1  0.53858982  0.16807067  0.40969565  1
  H  H7  1  0.83015711  0.46015933  0.08427632  1
  H  H8  1  0.46141342  0.83191861  0.59030664  1
  H  H9  1  0.16984736  0.53984059  0.91571981  1
  H  H10  1  0.33432457  0.15495457  0.50673551  1
  H  H11  1  0.83961445  0.66406557  0.98278346  1
  H  H12  1  0.66567491  0.84504346  0.49326621  1
  H  H13  1  0.16039441  0.33593315  0.01721480  1
  H  H14  1  0.42740539  0.07756506  0.05319846  1
  H  H15  1  0.92828960  0.57678930  0.43521943  1
  H  H16  1  0.57259406  0.92243082  0.94680385  1
  H  H17  1  0.07170226  0.42321544  0.56478112  1
  H  H18  1  0.87727543  0.20291772  0.04081619  1
  H  H19  1  0.77748167  0.11503833  0.44381986  1
  H  H20  1  0.12272360  0.79708288  0.95917955  1
  H  H21  1  0.22251681  0.88496624  0.55617618  1
  C  C22  1  0.62703441  0.11877445  0.17157750  1
  C  C23  1  0.88116355  0.37772345  0.32462239  1
  C  C24  1  0.37296856  0.88121857  0.82842609  1
  C  C25  1  0.11883255  0.62228123  0.67537542  1
  C  C26  1  0.49966470  0.11741197  0.22619362  1
  C  C27  1  0.88106719  0.50340960  0.26582627  1
  C  C28  1  0.50033744  0.88258095  0.77380857  1
  C  C29  1  0.11893000  0.49659422  0.73417197  1
  C  C30  1  0.47084521  0.14289338  0.35368443  1
  C  C31  1  0.85414154  0.53028704  0.13831359  1
  C  C32  1  0.52915697  0.85709870  0.64631796  1
  C  C33  1  0.14586094  0.46971441  0.86168385  1
  C  C34  1  0.35764964  0.13627240  0.40910731  1
  C  C35  1  0.85871546  0.64351060  0.08065139  1
  C  C36  1  0.64234996  0.86372361  0.59089425  1
  C  C37  1  0.14129042  0.35648942  0.91934706  1
  C  C38  1  0.27262358  0.10451733  0.33459394  1
  C  C39  1  0.89021166  0.73117283  0.15254631  1
  C  C40  1  0.72737463  0.89548225  0.66540672  1
  C  C41  1  0.10979416  0.26882626  0.84745351  1
  C  C42  1  0.29718138  0.08384179  0.20751441  1
  C  C43  1  0.91453478  0.70571740  0.27906396  1
  C  C44  1  0.70281745  0.91615687  0.79248608  1
  C  C45  1  0.08546430  0.29428459  0.72093675  1
  C  C46  1  0.41056027  0.09120767  0.15179717  1
  C  C47  1  0.90927606  0.59329159  0.33737507  1
  C  C48  1  0.58944041  0.90878785  0.84820511  1
  C  C49  1  0.09071882  0.40671238  0.66262499  1
  N  N50  1  0.16180010  0.08123055  0.36320908  1
  N  N51  1  0.91610837  0.84141471  0.12449790  1
  N  N52  1  0.83819416  0.91877456  0.63679014  1
  N  N53  1  0.08390078  0.15858254  0.87550130  1
  N  N54  1  0.11932150  0.04707654  0.26110268  1
  N  N55  1  0.95423439  0.88094552  0.22681664  1
  N  N56  1  0.88067356  0.95292826  0.73889624  1
  N  N57  1  0.04576872  0.11905414  0.77318349  1
  N  N58  1  0.19628337  0.05130216  0.16530893  1
  N  N59  1  0.95332742  0.80115780  0.32051118  1
  N  N60  1  0.80371344  0.94870080  0.83469056  1
  N  N61  1  0.04666978  0.19884549  0.67948994  1
  O  O62  1  0.92807156  0.10823783  0.06854325  1
  O  O63  1  0.87665771  0.06894041  0.43127202  1
  O  O64  1  0.07192815  0.89176269  0.93145433  1
  O  O65  1  0.12334112  0.93106352  0.56872740  1
  O  O66  1  0.69355602  0.15773334  0.24358044  1
  O  O67  1  0.84811161  0.30433833  0.25590621  1
  O  O68  1  0.30644384  0.84226400  0.75642142  1
  O  O69  1  0.15188608  0.69566503  0.74409221  1
  O  O70  1  0.65851932  0.08021079  0.06055368  1
  O  O71  1  0.91728935  0.35214901  0.43707576  1
  O  O72  1  0.34148453  0.91977956  0.93945088  1
  O  O73  1  0.08270556  0.64785462  0.56292199  1
