# generated using pymatgen
data_MnCrH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88015236
_cell_length_b   11.63391507
_cell_length_c   12.30818928
_cell_angle_alpha   118.33569516
_cell_angle_beta   100.12763618
_cell_angle_gamma   89.92109496
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrH28C32(NO3)4
_chemical_formula_sum   'Mn1 Cr1 H28 C32 N4 O12'
_cell_volume   973.30564545
_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  0.99999999  0.99999955  0.49999880  1
  Cr  Cr1  1  0.50000145  0.50000071  0.50000133  1
  H  H2  1  0.84223836  0.90550935  0.62734175  1
  H  H3  1  0.66376635  0.29013271  0.38408070  1
  H  H4  1  0.15776076  0.09448964  0.37265644  1
  H  H5  1  0.33623669  0.70986834  0.61592086  1
  H  H6  1  0.02516062  0.84464321  0.62278149  1
  H  H7  1  0.47753204  0.23515210  0.39166618  1
  H  H8  1  0.97483931  0.15535663  0.37721667  1
  H  H9  1  0.52247110  0.76484840  0.60833566  1
  H  H10  1  0.76508821  0.93982912  0.25305017  1
  H  H11  1  0.73154769  0.69002046  0.74839164  1
  H  H12  1  0.23491061  0.06017045  0.74694735  1
  H  H13  1  0.26845341  0.30998096  0.25161365  1
  H  H14  1  0.57513813  0.75069584  0.07599259  1
  H  H15  1  0.92001142  0.67697396  0.92400125  1
  H  H16  1  0.42486137  0.24930395  0.92400376  1
  H  H17  1  0.07998616  0.32302592  0.07600440  1
  H  H18  1  0.79613426  0.51122079  0.24027736  1
  H  H19  1  0.70655959  0.27176515  0.75636375  1
  H  H20  1  0.20386045  0.48877830  0.75971964  1
  H  H21  1  0.29344104  0.72823306  0.24363578  1
  H  H22  1  0.98633250  0.70805603  0.40324227  1
  H  H23  1  0.50979515  0.30608575  0.59741770  1
  H  H24  1  0.01366223  0.29194261  0.59675559  1
  H  H25  1  0.49020850  0.69391401  0.40258191  1
  H  H26  1  0.57119563  0.40984811  0.05427199  1
  H  H27  1  0.93020110  0.35532573  0.94237288  1
  H  H28  1  0.42880059  0.59015169  0.94572454  1
  H  H29  1  0.06979823  0.64467233  0.05762943  1
  C  C30  1  0.76598621  0.84291110  0.24588930  1
  C  C31  1  0.72981191  0.59946284  0.75422969  1
  C  C32  1  0.23401131  0.15708853  0.75410829  1
  C  C33  1  0.27018881  0.40053759  0.24577426  1
  C  C34  1  0.66070732  0.73686027  0.14784526  1
  C  C35  1  0.83506998  0.59092397  0.85166624  1
  C  C36  1  0.33929084  0.26313936  0.85215148  1
  C  C37  1  0.16492927  0.40907594  0.14833799  1
  C  C38  1  0.66697978  0.61364444  0.14426543  1
  C  C39  1  0.83171925  0.47102766  0.85485400  1
  C  C40  1  0.33301692  0.38635494  0.85573138  1
  C  C41  1  0.16828049  0.52897134  0.14514854  1
  C  C42  1  0.78568137  0.60422536  0.23936036  1
  C  C43  1  0.71378433  0.36665794  0.75900399  1
  C  C44  1  0.21431432  0.39577397  0.76063699  1
  C  C45  1  0.28621670  0.63334097  0.24099717  1
  C  C46  1  0.88920139  0.71448928  0.33190711  1
  C  C47  1  0.60767502  0.38417963  0.66758530  1
  C  C48  1  0.11079392  0.28550961  0.66809049  1
  C  C49  1  0.39232736  0.61582019  0.33241599  1
  C  C50  1  0.62108743  0.04194710  0.50869813  1
  C  C51  1  0.87764753  0.53276202  0.50152195  1
  C  C52  1  0.37891193  0.95805401  0.49130236  1
  C  C53  1  0.12235494  0.46723901  0.49848060  1
  C  C54  1  0.55686693  0.94625655  0.54198167  1
  C  C55  1  0.94584455  0.40456875  0.46259650  1
  C  C56  1  0.44313186  0.05374480  0.45801881  1
  C  C57  1  0.05415870  0.59543245  0.53740598  1
  C  C58  1  0.55832167  0.49985666  0.04769978  1
  C  C59  1  0.94160585  0.45296749  0.95101280  1
  C  C60  1  0.44167494  0.50014313  0.95229665  1
  C  C61  1  0.05839335  0.54703082  0.04898964  1
  N  N62  1  0.87404771  0.83238864  0.33796385  1
  N  N63  1  0.61927201  0.49663645  0.66034336  1
  N  N64  1  0.12594726  0.16761070  0.66203406  1
  N  N65  1  0.38073038  0.50336415  0.33965913  1
  O  O66  1  0.96638482  0.92229172  0.62807603  1
  O  O67  1  0.53894888  0.30857343  0.38837156  1
  O  O68  1  0.03361409  0.07770707  0.37192121  1
  O  O69  1  0.46105441  0.69142770  0.61163119  1
  O  O70  1  0.76455209  0.09752872  0.51950530  1
  O  O71  1  0.72735979  0.57114763  0.48832936  1
  O  O72  1  0.23544745  0.90247075  0.48049287  1
  O  O73  1  0.27264298  0.42885355  0.51167355  1
  O  O74  1  0.62454734  0.88802014  0.60091113  1
  O  O75  1  0.87179574  0.28897307  0.39530665  1
  O  O76  1  0.37545181  0.11198129  0.39908958  1
  O  O77  1  0.12820716  0.71102807  0.60469300  1
