# generated using pymatgen
data_MnCrH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88353003
_cell_length_b   11.63632249
_cell_length_c   12.31473272
_cell_angle_alpha   118.35337217
_cell_angle_beta   100.12974089
_cell_angle_gamma   89.89436420
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrH28C32(NO3)4
_chemical_formula_sum   'Mn1 Cr1 H28 C32 N4 O12'
_cell_volume   974.31508878
_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
  Cr  Cr0  1  0.99999899  0.99999939  0.49999862  1
  Mn  Mn1  1  0.50000222  0.50000130  0.50000169  1
  H  H2  1  0.83641186  0.90753642  0.61617583  1
  H  H3  1  0.65789032  0.27737887  0.37218412  1
  H  H4  1  0.16358704  0.09246270  0.38382217  1
  H  H5  1  0.34211223  0.72262186  0.62781727  1
  H  H6  1  0.02179944  0.84405640  0.60813046  1
  H  H7  1  0.47452320  0.22062899  0.37582308  1
  H  H8  1  0.97820015  0.15594318  0.39186806  1
  H  H9  1  0.52547907  0.77937210  0.62417869  1
  H  H10  1  0.76594599  0.94208446  0.25366463  1
  H  H11  1  0.73362139  0.68874521  0.75032860  1
  H  H12  1  0.23405251  0.05791499  0.74633294  1
  H  H13  1  0.26637961  0.31125595  0.24967666  1
  H  H14  1  0.57698250  0.75355778  0.07830376  1
  H  H15  1  0.92218747  0.67597277  0.92672370  1
  H  H16  1  0.42301683  0.24644164  0.92169275  1
  H  H17  1  0.07781019  0.32402705  0.07328203  1
  H  H18  1  0.79596221  0.51384285  0.24133971  1
  H  H19  1  0.70661230  0.27061263  0.75799661  1
  H  H20  1  0.20403201  0.48615674  0.75865901  1
  H  H21  1  0.29338856  0.72938577  0.24200304  1
  H  H22  1  0.99186379  0.70708833  0.40080892  1
  H  H23  1  0.51588161  0.30499758  0.59609537  1
  H  H24  1  0.00813162  0.29291093  0.59918896  1
  H  H25  1  0.48412174  0.69500234  0.40390403  1
  H  H26  1  0.57153882  0.41174190  0.05561316  1
  H  H27  1  0.93161672  0.35475411  0.94447872  1
  H  H28  1  0.42845756  0.58825824  0.94438350  1
  H  H29  1  0.06838182  0.64524310  0.05552291  1
  C  C30  1  0.76885158  0.84530335  0.24697267  1
  C  C31  1  0.73292786  0.59823357  0.75614895  1
  C  C32  1  0.23114670  0.15469606  0.75302447  1
  C  C33  1  0.26707299  0.40176683  0.24385516  1
  C  C34  1  0.66320575  0.73938325  0.14966128  1
  C  C35  1  0.83791427  0.58987824  0.85392885  1
  C  C36  1  0.33679277  0.26061645  0.85033584  1
  C  C37  1  0.16208518  0.41012137  0.14607524  1
  C  C38  1  0.66803633  0.61571214  0.14515276  1
  C  C39  1  0.83324529  0.46953539  0.85605699  1
  C  C40  1  0.33196102  0.38428749  0.85484467  1
  C  C41  1  0.16675425  0.53046326  0.14394535  1
  C  C42  1  0.78733429  0.60666853  0.23991008  1
  C  C43  1  0.71574479  0.36504802  0.76000551  1
  C  C44  1  0.21266153  0.39333086  0.76008787  1
  C  C45  1  0.28425611  0.63495063  0.23999543  1
  C  C46  1  0.89336162  0.71567368  0.33147819  1
  C  C47  1  0.61195846  0.38326853  0.66802259  1
  C  C48  1  0.10663447  0.28432549  0.66851953  1
  C  C49  1  0.38804381  0.61673141  0.33197851  1
  C  C50  1  0.62211547  0.03053522  0.49773843  1
  C  C51  1  0.87881660  0.53329160  0.49085706  1
  C  C52  1  0.37788301  0.96946559  0.50226188  1
  C  C53  1  0.12118659  0.46670978  0.50914541  1
  C  C54  1  0.55432754  0.94239639  0.53774283  1
  C  C55  1  0.94355165  0.40398531  0.45713615  1
  C  C56  1  0.44567073  0.05760463  0.46225748  1
  C  C57  1  0.05645132  0.59601616  0.54286663  1
  C  C58  1  0.55874039  0.50147697  0.04850107  1
  C  C59  1  0.94233647  0.45186256  0.95193420  1
  C  C60  1  0.44125667  0.49852320  0.95149598  1
  C  C61  1  0.05766221  0.54813502  0.04806788  1
  N  N62  1  0.88100301  0.83579475  0.33970997  1
  N  N63  1  0.62582862  0.49558955  0.66287923  1
  N  N64  1  0.11899469  0.16420441  0.66028726  1
  N  N65  1  0.37417332  0.50441091  0.33712317  1
  O  O66  1  0.96123099  0.92139637  0.61202668  1
  O  O67  1  0.53424220  0.29432728  0.37344489  1
  O  O68  1  0.03876759  0.07860259  0.38797077  1
  O  O69  1  0.46576124  0.70567442  0.62655830  1
  O  O70  1  0.77206184  0.08296418  0.51200030  1
  O  O71  1  0.73545123  0.57811101  0.47998154  1
  O  O72  1  0.22793628  0.91703497  0.48799718  1
  O  O73  1  0.26455228  0.42189086  0.52002125  1
  O  O74  1  0.62860125  0.89433062  0.60486221  1
  O  O75  1  0.87616769  0.28670540  0.39897156  1
  O  O76  1  0.37139801  0.10567014  0.39513780  1
  O  O77  1  0.12383531  0.71329573  0.60102743  1
