# generated using pymatgen
data_MnNiH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90723849
_cell_length_b   11.65184686
_cell_length_c   12.33503993
_cell_angle_alpha   118.38534024
_cell_angle_beta   100.08616074
_cell_angle_gamma   89.92846222
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiH28C32(NO3)4
_chemical_formula_sum   'Mn1 Ni1 H28 C32 N4 O12'
_cell_volume   979.96363806
_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
  Ni  Ni0  1  0.99999933  0.99999962  0.49999863  1
  Mn  Mn1  1  0.50000165  0.50000098  0.50000148  1
  H  H2  1  0.84335513  0.91022831  0.62236616  1
  H  H3  1  0.65585294  0.27837471  0.37077626  1
  H  H4  1  0.15664452  0.08977107  0.37763175  1
  H  H5  1  0.34415008  0.72162687  0.62922576  1
  H  H6  1  0.02394852  0.84609241  0.61402049  1
  H  H7  1  0.47438827  0.21966951  0.37469512  1
  H  H8  1  0.97605141  0.15390662  0.38597750  1
  H  H9  1  0.52561406  0.78033176  0.62530672  1
  H  H10  1  0.76585092  0.94233756  0.25468855  1
  H  H11  1  0.73438913  0.68872689  0.75220482  1
  H  H12  1  0.23414731  0.05766181  0.74530893  1
  H  H13  1  0.26561214  0.31127405  0.24779999  1
  H  H14  1  0.57693541  0.75444215  0.07888901  1
  H  H15  1  0.92227993  0.67504375  0.92739373  1
  H  H16  1  0.42306413  0.24555789  0.92110769  1
  H  H17  1  0.07771773  0.32495572  0.07261166  1
  H  H18  1  0.79741451  0.51482120  0.24059036  1
  H  H19  1  0.70776868  0.26962600  0.75701968  1
  H  H20  1  0.20257938  0.48517915  0.75940896  1
  H  H21  1  0.29223189  0.73037261  0.24298058  1
  H  H22  1  0.98981461  0.71004971  0.40120855  1
  H  H23  1  0.51714096  0.30577747  0.59671942  1
  H  H24  1  0.01018021  0.28995005  0.59878982  1
  H  H25  1  0.48286234  0.69422201  0.40328057  1
  H  H26  1  0.57173477  0.41257876  0.05596813  1
  H  H27  1  0.93321760  0.35439440  0.94443409  1
  H  H28  1  0.42826145  0.58742020  0.94402876  1
  H  H29  1  0.06678227  0.64560408  0.05556832  1
  C  C30  1  0.76816694  0.84585929  0.24804029  1
  C  C31  1  0.73357734  0.59780001  0.75712203  1
  C  C32  1  0.23183054  0.15414054  0.75195705  1
  C  C33  1  0.26642394  0.40220027  0.24288132  1
  C  C34  1  0.66255337  0.74009148  0.15010895  1
  C  C35  1  0.83827741  0.58909369  0.85451382  1
  C  C36  1  0.33744529  0.25990790  0.84988880  1
  C  C37  1  0.16172233  0.41090584  0.14548996  1
  C  C38  1  0.66780218  0.61648153  0.14521731  1
  C  C39  1  0.83383577  0.46873865  0.85627577  1
  C  C40  1  0.33219428  0.38351795  0.85477979  1
  C  C41  1  0.16616413  0.53126024  0.14372664  1
  C  C42  1  0.78725454  0.60762622  0.23958937  1
  C  C43  1  0.71663365  0.36456030  0.76015458  1
  C  C44  1  0.21274050  0.39237331  0.76040864  1
  C  C45  1  0.28336743  0.63543853  0.23984664  1
  C  C46  1  0.89145103  0.71753069  0.33159775  1
  C  C47  1  0.61333490  0.38338727  0.66866245  1
  C  C48  1  0.10854426  0.28246879  0.66840039  1
  C  C49  1  0.38666755  0.61661212  0.33133839  1
  C  C50  1  0.62189765  0.03700376  0.50356882  1
  C  C51  1  0.87979164  0.53378777  0.48965438  1
  C  C52  1  0.37810091  0.96299614  0.49643073  1
  C  C53  1  0.12021053  0.46621358  0.51034664  1
  C  C54  1  0.55586742  0.94759093  0.54317131  1
  C  C55  1  0.94340811  0.40369142  0.45053556  1
  C  C56  1  0.44413146  0.05240908  0.45682812  1
  C  C57  1  0.05659467  0.59630966  0.54946529  1
  C  C58  1  0.55873175  0.50198050  0.04851813  1
  C  C59  1  0.94292952  0.45148503  0.95198573  1
  C  C60  1  0.44126464  0.49801824  0.95147861  1
  C  C61  1  0.05706997  0.54851345  0.04801681  1
  N  N62  1  0.87796892  0.83667844  0.34023952  1
  N  N63  1  0.62685533  0.49552547  0.66334213  1
  N  N64  1  0.12202780  0.16332106  0.65975857  1
  N  N65  1  0.37314756  0.50447459  0.33666005  1
  O  O66  1  0.96566718  0.92283661  0.61691607  1
  O  O67  1  0.53259147  0.29461883  0.37354764  1
  O  O68  1  0.03433228  0.07716183  0.38308070  1
  O  O69  1  0.46741180  0.70538341  0.62645578  1
  O  O70  1  0.76734919  0.09084779  0.51710082  1
  O  O71  1  0.73569859  0.57673865  0.47813899  1
  O  O72  1  0.23264940  0.90915210  0.48289817  1
  O  O73  1  0.26430397  0.42326330  0.52186349  1
  O  O74  1  0.62719177  0.89761957  0.60831222  1
  O  O75  1  0.87368287  0.28766800  0.39333411  1
  O  O76  1  0.37280840  0.10238147  0.39168806  1
  O  O77  1  0.12631962  0.71233303  0.60666553  1
