# generated using pymatgen
data_CrFeH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86794000
_cell_length_b   11.62908502
_cell_length_c   12.29725964
_cell_angle_alpha   118.34529401
_cell_angle_beta   100.13853209
_cell_angle_gamma   89.90924443
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeH28C32(NO3)4
_chemical_formula_sum   'Cr1 Fe1 H28 C32 N4 O12'
_cell_volume   970.41927775
_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
  Fe  Fe0  1  0.99999926  0.99999943  0.49999875  1
  Cr  Cr1  1  0.50000162  0.50000070  0.50000144  1
  H  H2  1  0.84144821  0.90564460  0.62402496  1
  H  H3  1  0.66469435  0.29046833  0.38529065  1
  H  H4  1  0.15855086  0.09435425  0.37597304  1
  H  H5  1  0.33530878  0.70953289  0.61471096  1
  H  H6  1  0.02622597  0.84622193  0.62004969  1
  H  H7  1  0.47684696  0.23604852  0.39054498  1
  H  H8  1  0.97377439  0.15377784  0.37994880  1
  H  H9  1  0.52315608  0.76395208  0.60945644  1
  H  H10  1  0.76564328  0.94015115  0.25412078  1
  H  H11  1  0.73152272  0.68931805  0.74698135  1
  H  H12  1  0.23435478  0.05984837  0.74587730  1
  H  H13  1  0.26847884  0.31068379  0.25302478  1
  H  H14  1  0.57643358  0.75185356  0.07709819  1
  H  H15  1  0.91905364  0.67767913  0.92375427  1
  H  H16  1  0.42356651  0.24814609  0.92289783  1
  H  H17  1  0.08094465  0.32232048  0.07625251  1
  H  H18  1  0.79518439  0.51094659  0.23958426  1
  H  H19  1  0.70806588  0.27187367  0.75709009  1
  H  H20  1  0.20480991  0.48905217  0.76041228  1
  H  H21  1  0.29193471  0.72812449  0.24290919  1
  H  H22  1  0.98659267  0.70610625  0.40345425  1
  H  H23  1  0.51328445  0.30339535  0.59518098  1
  H  H24  1  0.01340126  0.29389255  0.59654387  1
  H  H25  1  0.48671872  0.69660486  0.40481857  1
  H  H26  1  0.57107457  0.40984215  0.05412272  1
  H  H27  1  0.92976229  0.35530322  0.94205005  1
  H  H28  1  0.42892170  0.59015772  0.94587329  1
  H  H29  1  0.07023607  0.64469457  0.05795192  1
  C  C30  1  0.76801620  0.84321589  0.24697189  1
  C  C31  1  0.72952305  0.59902347  0.75333409  1
  C  C32  1  0.23198132  0.15678363  0.75302571  1
  C  C33  1  0.27047838  0.40097754  0.24667072  1
  C  C34  1  0.66204500  0.73748036  0.14873983  1
  C  C35  1  0.83494623  0.59110794  0.85123289  1
  C  C36  1  0.33795305  0.26251937  0.85125696  1
  C  C37  1  0.16505319  0.40889166  0.14877162  1
  C  C38  1  0.66746736  0.61402008  0.14464425  1
  C  C39  1  0.83215097  0.47121627  0.85455038  1
  C  C40  1  0.33252950  0.38597954  0.85535252  1
  C  C41  1  0.16784830  0.52878239  0.14545192  1
  C  C42  1  0.78604295  0.60456683  0.23975519  1
  C  C43  1  0.71483933  0.36632326  0.75858770  1
  C  C44  1  0.21395212  0.39543237  0.76024191  1
  C  C45  1  0.28516137  0.63367558  0.24141296  1
  C  C46  1  0.89049726  0.71426887  0.33249746  1
  C  C47  1  0.60907822  0.38281218  0.66628427  1
  C  C48  1  0.10949750  0.28573012  0.66750049  1
  C  C49  1  0.39092429  0.61718799  0.33371670  1
  C  C50  1  0.62186597  0.03846878  0.50468575  1
  C  C51  1  0.87755103  0.53278129  0.50022090  1
  C  C52  1  0.37813338  0.96153229  0.49531456  1
  C  C53  1  0.12245221  0.46721988  0.49978159  1
  C  C54  1  0.55672859  0.94559949  0.54123589  1
  C  C55  1  0.94551187  0.40444206  0.46099121  1
  C  C56  1  0.44327054  0.05440163  0.45876482  1
  C  C57  1  0.05449114  0.59555889  0.53901128  1
  C  C58  1  0.55848281  0.50013075  0.04788903  1
  C  C59  1  0.94163658  0.45304241  0.95083440  1
  C  C60  1  0.44151378  0.49986901  0.95210702  1
  C  C61  1  0.05836181  0.54695538  0.04916787  1
  N  N62  1  0.87765289  0.83297553  0.33925238  1
  N  N63  1  0.61924427  0.49569745  0.65951116  1
  N  N64  1  0.12234309  0.16702345  0.66074555  1
  N  N65  1  0.38075892  0.50430382  0.34049159  1
  O  O66  1  0.96538221  0.92239941  0.62328382  1
  O  O67  1  0.53901348  0.30870383  0.38665695  1
  O  O68  1  0.03461680  0.07759934  0.37671358  1
  O  O69  1  0.46099006  0.69129754  0.61334578  1
  O  O70  1  0.76588140  0.09216413  0.51349892  1
  O  O71  1  0.72763067  0.57294421  0.48999915  1
  O  O72  1  0.23411721  0.90783524  0.48649870  1
  O  O73  1  0.27237273  0.42705727  0.51000392  1
  O  O74  1  0.62564096  0.88663036  0.59934184  1
  O  O75  1  0.87182113  0.28837096  0.39859110  1
  O  O76  1  0.37435887  0.11337089  0.40065897  1
  O  O77  1  0.12818191  0.71163037  0.60140807  1
