# generated using pymatgen
data_Mn2NiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.95061844
_cell_length_b   10.95171669
_cell_length_c   10.92974452
_cell_angle_alpha   89.08838964
_cell_angle_beta   88.89604494
_cell_angle_gamma   63.39903918
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiH8C14(NO)6
_chemical_formula_sum   'Mn4 Ni2 H16 C28 N12 O12'
_cell_volume   1171.77605312
_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  0.89203693  0.10377171  0.24517497  1
  Mn  Mn1  1  0.10796294  0.89623094  0.75482374  1
  Ni  Ni2  1  0.85995096  0.98208622  -0.00852641  1
  Mn  Mn3  1  0.00071057  0.14873485  0.50481596  1
  Ni  Ni4  1  0.14004933  0.01791366  1.00852609  1
  Mn  Mn5  1  0.99928658  0.85126887  0.49518419  1
  H  H6  1  0.53855826  0.17053754  0.40148837  1
  H  H7  1  0.82668457  0.46233429  0.08787519  1
  H  H8  1  0.46144566  0.82945246  0.59851536  1
  H  H9  1  0.17331905  0.53766575  0.91212233  1
  H  H10  1  0.33808992  0.15643946  0.50381724  1
  H  H11  1  0.83585735  0.66437878  0.98529879  1
  H  H12  1  0.66191012  0.84355700  0.49618437  1
  H  H13  1  0.16415168  0.33561832  0.01469807  1
  H  H14  1  0.42144552  0.07881144  0.05036578  1
  H  H15  1  0.92855370  0.57719697  0.43573177  1
  H  H16  1  0.57855794  0.92118204  0.94963637  1
  H  H17  1  0.07143765  0.42280892  0.56426844  1
  H  H18  1  0.87640949  0.20496491  0.02053403  1
  H  H19  1  0.78394678  0.10385161  0.46577789  1
  H  H20  1  0.12359213  0.79503567  0.97946277  1
  H  H21  1  0.21605137  0.89615153  0.53421963  1
  C  C22  1  0.62139159  0.12080198  0.16485240  1
  C  C23  1  0.88220089  0.38021152  0.32712594  1
  C  C24  1  0.37861018  0.87919309  0.83515044  1
  C  C25  1  0.11779431  0.61979242  0.67287269  1
  C  C26  1  0.49496493  0.12083639  0.22070308  1
  C  C27  1  0.87919287  0.50561789  0.26771865  1
  C  C28  1  0.50503748  0.87915747  0.77929951  1
  C  C29  1  0.12080538  0.49438470  0.73228015  1
  C  C30  1  0.46928196  0.14632021  0.34793858  1
  C  C31  1  0.85059300  0.53231578  0.14099981  1
  C  C32  1  0.53072039  0.85367277  0.65206415  1
  C  C33  1  0.14940958  0.46768442  0.85899792  1
  C  C34  1  0.35896333  0.13859497  0.40625245  1
  C  C35  1  0.85558273  0.64416714  0.08263673  1
  C  C36  1  0.64103687  0.86140150  0.59374915  1
  C  C37  1  0.14442284  0.35583162  0.91736106  1
  C  C38  1  0.27471720  0.10488856  0.33416410  1
  C  C39  1  0.89094101  0.72887901  0.15294290  1
  C  C40  1  0.72528122  0.89511173  0.66583667  1
  C  C41  1  0.10906265  0.27112051  0.84705535  1
  C  C42  1  0.29757475  0.08242497  0.20756020  1
  C  C43  1  0.92091321  0.70059683  0.27782794  1
  C  C44  1  0.70242501  0.91757363  0.79244097  1
  C  C45  1  0.07908623  0.29940483  0.72217135  1
  C  C46  1  0.40652025  0.09295967  0.14864280  1
  C  C47  1  0.90994104  0.59303934  0.33814217  1
  C  C48  1  0.59348220  0.90703522  0.85135935  1
  C  C49  1  0.09005497  0.40696431  0.66185712  1
  N  N50  1  0.16654744  0.07915443  0.36532826  1
  N  N51  1  0.91744360  0.83807226  0.12461794  1
  N  N52  1  0.83344738  0.92085109  0.63467090  1
  N  N53  1  0.08256213  0.16192636  0.87538087  1
  N  N54  1  0.12658325  0.03964023  0.26590540  1
  N  N55  1  0.96876059  0.86813337  0.22325429  1
  N  N56  1  0.87341195  0.96036528  0.73409337  1
  N  N57  1  0.03124133  0.13186681  0.77674578  1
  N  N58  1  0.19984840  0.04506233  0.16832373  1
  N  N59  1  0.96999046  0.78835179  0.31655815  1
  N  N60  1  0.80014978  0.95493970  0.83167571  1
  N  N61  1  0.03000797  0.21164998  0.68344208  1
  O  O62  1  0.92518561  0.11435183  0.05697518  1
  O  O63  1  0.87825822  0.06472443  0.43640875  1
  O  O64  1  0.07481408  0.88564906  0.94302250  1
  O  O65  1  0.12174063  0.93527806  0.56358987  1
  O  O66  1  0.68449882  0.16464046  0.23429691  1
  O  O67  1  0.84318853  0.31011781  0.26190612  1
  O  O68  1  0.31550188  0.83535547  0.76570543  1
  O  O69  1  0.15680652  0.68988710  0.73809241  1
  O  O70  1  0.65750173  0.07511525  0.05678403  1
  O  O71  1  0.92689757  0.35066933  0.43646069  1
  O  O72  1  0.34249977  0.92488031  0.94321827  1
  O  O73  1  0.07309632  0.64933462  0.56353924  1
