# generated using pymatgen
data_CrH12C16(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08625624
_cell_length_b   10.47648094
_cell_length_c   10.92999172
_cell_angle_alpha   90.00003690
_cell_angle_beta   88.40615862
_cell_angle_gamma   89.99978330
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH12C16(NO2)2
_chemical_formula_sum   'Cr2 H24 C32 N4 O8'
_cell_volume   925.58157868
_cell_formula_units_Z   2
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  0.00000147  0.49999953  0.00000088  1
  Cr  Cr1  1  0.49999863  -0.00000008  0.49999954  1
  H  H2  1  0.69368804  0.61068271  0.90672166  1
  H  H3  1  0.80631729  0.11068485  0.59327275  1
  H  H4  1  0.30631229  0.38931575  0.09328628  1
  H  H5  1  0.19368634  0.88931455  0.40671731  1
  H  H6  1  0.43595753  0.53542707  0.81347018  1
  H  H7  1  0.06404761  0.03542695  0.68652543  1
  H  H8  1  0.56404143  0.46457312  0.18653653  1
  H  H9  1  0.93595367  0.96457096  0.31346526  1
  H  H10  1  0.64515247  0.15645326  0.79911568  1
  H  H11  1  0.85484585  0.65645714  0.70088836  1
  H  H12  1  0.35485231  0.84354887  0.20087674  1
  H  H13  1  0.14514568  0.34354525  0.29911978  1
  H  H14  1  0.89679188  0.24357387  0.89270160  1
  H  H15  1  0.60320837  0.74357959  0.60730103  1
  H  H16  1  0.10321320  0.75642697  0.10729279  1
  H  H17  1  0.39678451  0.25642302  0.39270521  1
  H  H18  1  0.23668766  0.16860980  0.63006149  1
  H  H19  1  0.26331298  0.66860382  0.86993234  1
  H  H20  1  0.76330951  0.83139467  0.36993877  1
  H  H21  1  0.73668820  0.33139927  0.13006589  1
  H  H22  1  0.09373566  0.30175295  0.74585688  1
  H  H23  1  0.40626575  0.80174879  0.75414250  1
  H  H24  1  0.90626630  0.69825097  0.25414215  1
  H  H25  1  0.59373134  0.19825577  0.24585786  1
  C  C26  1  0.68022700  0.51131631  0.88004494  1
  C  C27  1  0.81977709  0.01131916  0.61995189  1
  C  C28  1  0.31977370  0.48868277  0.11995993  1
  C  C29  1  0.18022218  0.98868076  0.38004207  1
  C  C30  1  0.53432306  0.46805773  0.83230272  1
  C  C31  1  0.96568108  0.96805888  0.66769495  1
  C  C32  1  0.46567766  0.53194214  0.16770151  1
  C  C33  1  0.03431859  0.03193963  0.33229915  1
  C  C34  1  0.65119943  0.25721808  0.82225854  1
  C  C35  1  0.84880088  0.75722158  0.67774389  1
  C  C36  1  0.34880413  0.74278334  0.17773717  1
  C  C37  1  0.15119384  0.24277948  0.32226043  1
  C  C38  1  0.79314186  0.30567008  0.87199211  1
  C  C39  1  0.70685904  0.80567498  0.62800977  1
  C  C40  1  0.20686129  0.69433023  0.12800508  1
  C  C41  1  0.29313600  0.19432652  0.37199378  1
  C  C42  1  0.51474875  0.33816663  0.80398411  1
  C  C43  1  0.98525285  0.83816881  0.69601664  1
  C  C44  1  0.48525409  0.66183435  0.19601426  1
  C  C45  1  0.01474385  0.16183139  0.30398425  1
  C  C46  1  0.35744576  0.29275916  0.75595304  1
  C  C47  1  0.14255531  0.79276089  0.74404810  1
  C  C48  1  0.64255567  0.70724307  0.24404698  1
  C  C49  1  0.85744144  0.20724197  0.25595208  1
  C  C50  1  0.35887461  0.19940599  0.66197239  1
  C  C51  1  0.14112607  0.69940410  0.83802540  1
  C  C52  1  0.64112419  0.80059728  0.33802666  1
  C  C53  1  0.85887377  0.30059797  0.16197401  1
  C  C54  1  0.19954534  0.33916757  0.79754521  1
  C  C55  1  0.30045581  0.83916678  0.70245598  1
  C  C56  1  0.80045620  0.66083493  0.20245501  1
  C  C57  1  0.69954038  0.16083594  0.29754404  1
  N  N58  1  0.80965959  0.43195429  0.90009196  1
  N  N59  1  0.69034281  0.93195855  0.59990738  1
  N  N60  1  0.19034253  0.56804510  0.09990905  1
  N  N61  1  0.30965398  0.06804156  0.40009088  1
  O  O62  1  0.49078156  0.15677183  0.60906710  1
  O  O63  1  1.00922071  0.65677165  0.89093344  1
  O  O64  1  0.50921621  0.84322931  0.39093163  1
  O  O65  1  -0.00921874  0.34322819  0.10906732  1
  O  O66  1  0.17620402  0.41433958  0.88797537  1
  O  O67  1  0.32379817  0.91434140  0.61202791  1
  O  O68  1  0.82379701  0.58565958  0.11202719  1
  O  O69  1  0.67619937  0.08565798  0.38796955  1
