# generated using pymatgen
data_MnNiH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90458906
_cell_length_b   11.65006681
_cell_length_c   12.32166348
_cell_angle_alpha   118.29338348
_cell_angle_beta   100.12033944
_cell_angle_gamma   89.88598020
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH28C32(NO3)4
_chemical_formula_sum   'Mn1 Ni1 H28 C32 N4 O12'
_cell_volume   979.24964971
_cell_formula_units_Z   1
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  1.00000013  0.99999979  0.49999840  1
  Ni  Ni1  1  0.50000167  0.50000046  0.50000129  1
  H  H2  1  0.84420328  0.90851170  0.62926341  1
  H  H3  1  0.65694794  0.28735792  0.37808593  1
  H  H4  1  0.15579689  0.09148842  0.37073479  1
  H  H5  1  0.34305459  0.71264361  0.62191589  1
  H  H6  1  0.02568663  0.84563767  0.62500737  1
  H  H7  1  0.47599884  0.23159655  0.38587201  1
  H  H8  1  0.97431387  0.15436302  0.37499031  1
  H  H9  1  0.52400416  0.76840398  0.61412958  1
  H  H10  1  0.76381340  0.93730477  0.25046749  1
  H  H11  1  0.73204824  0.68941096  0.74742611  1
  H  H12  1  0.23618436  0.06269499  0.74953013  1
  H  H13  1  0.26795288  0.31059021  0.25257922  1
  H  H14  1  0.57513135  0.74856744  0.07502922  1
  H  H15  1  0.92021664  0.67737143  0.92339500  1
  H  H16  1  0.42486744  0.25143182  0.92496685  1
  H  H17  1  0.07978137  0.32262827  0.07661061  1
  H  H18  1  0.79423581  0.51137917  0.24154896  1
  H  H19  1  0.70452395  0.27408846  0.75802143  1
  H  H20  1  0.20575893  0.48862006  0.75844850  1
  H  H21  1  0.29547655  0.72590988  0.24197838  1
  H  H22  1  0.98471590  0.70809332  0.40256491  1
  H  H23  1  0.51159065  0.30903421  0.59772277  1
  H  H24  1  0.01527886  0.29190612  0.59743273  1
  H  H25  1  0.48841232  0.69096599  0.40227725  1
  H  H26  1  0.56873753  0.40901392  0.05389984  1
  H  H27  1  0.92978775  0.35595239  0.94217693  1
  H  H28  1  0.43125891  0.59098578  0.94609698  1
  H  H29  1  0.07021164  0.64404592  0.05782496  1
  C  C30  1  0.76535582  0.84100674  0.24455412  1
  C  C31  1  0.73052798  0.59918014  0.75334326  1
  C  C32  1  0.23463972  0.15899291  0.75544341  1
  C  C33  1  0.26947299  0.40082045  0.24666088  1
  C  C34  1  0.66042575  0.73495426  0.14698914  1
  C  C35  1  0.83593846  0.59129090  0.85125090  1
  C  C36  1  0.33957129  0.26504515  0.85300755  1
  C  C37  1  0.16406109  0.40870872  0.14875326  1
  C  C38  1  0.66633432  0.61222573  0.14395662  1
  C  C39  1  0.83219059  0.47189383  0.85490047  1
  C  C40  1  0.33366207  0.38777356  0.85604036  1
  C  C41  1  0.16780917  0.52810494  0.14510196  1
  C  C42  1  0.78456815  0.60361084  0.23929001  1
  C  C43  1  0.71374777  0.36827476  0.75971905  1
  C  C44  1  0.21542702  0.39638844  0.76070751  1
  C  C45  1  0.28625299  0.63172430  0.24028218  1
  C  C46  1  0.88777102  0.71397857  0.33114819  1
  C  C47  1  0.60934308  0.38634119  0.66799123  1
  C  C48  1  0.11222352  0.28602091  0.66884991  1
  C  C49  1  0.39065869  0.61365886  0.33201003  1
  C  C50  1  0.62022724  0.04368327  0.50974452  1
  C  C51  1  0.87801897  0.53363132  0.49633504  1
  C  C52  1  0.37977318  0.95631719  0.49025519  1
  C  C53  1  0.12198498  0.46636913  0.50366811  1
  C  C54  1  0.55714908  0.95265587  0.54881188  1
  C  C55  1  0.94418454  0.40429920  0.45688018  1
  C  C56  1  0.44285119  0.04734487  0.45118818  1
  C  C57  1  0.05581902  0.59570129  0.54312332  1
  C  C58  1  0.55759669  0.49918422  0.04760363  1
  C  C59  1  0.94165394  0.45349537  0.95101891  1
  C  C60  1  0.44240004  0.50081539  0.95239324  1
  C  C61  1  0.05834554  0.54650312  0.04898348  1
  N  N62  1  0.87338677  0.83182229  0.33731740  1
  N  N63  1  0.62196115  0.49736212  0.66021810  1
  N  N64  1  0.12660622  0.16817742  0.66268149  1
  N  N65  1  0.37804096  0.50263879  0.33978473  1
  O  O66  1  0.96748648  0.92199231  0.62648658  1
  O  O67  1  0.53443563  0.30543763  0.38327279  1
  O  O68  1  0.03251320  0.07800775  0.37351019  1
  O  O69  1  0.46556701  0.69456336  0.61672959  1
  O  O70  1  0.76380510  0.09854920  0.52140899  1
  O  O71  1  0.73232173  0.57411051  0.48345826  1
  O  O72  1  0.23619586  0.90144942  0.47858865  1
  O  O73  1  0.26768209  0.42588985  0.51654431  1
  O  O74  1  0.62700944  0.89466786  0.60664533  1
  O  O75  1  0.87275310  0.28904494  0.39211492  1
  O  O76  1  0.37299033  0.10533270  0.39335446  1
  O  O77  1  0.12724949  0.71095593  0.60788471  1
