# generated using pymatgen
data_CrH14C16(NO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85242474
_cell_length_b   11.61855518
_cell_length_c   12.28111165
_cell_angle_alpha   118.37233300
_cell_angle_beta   100.17382573
_cell_angle_gamma   89.90437787
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH14C16(NO3)2
_chemical_formula_sum   'Cr2 H28 C32 N4 O12'
_cell_volume   965.97265507
_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  0.99999874  0.99999962  0.49999905  1
  Cr  Cr1  1  0.50000177  0.50000064  0.50000128  1
  H  H2  1  0.83463133  0.90545013  0.61415100  1
  H  H3  1  0.66569207  0.29068088  0.38614961  1
  H  H4  1  0.16536663  0.09454859  0.38584697  1
  H  H5  1  0.33431107  0.70931989  0.61385138  1
  H  H6  1  0.02448789  0.84834914  0.61029296  1
  H  H7  1  0.47568824  0.23752156  0.38968678  1
  H  H8  1  0.97551076  0.15165080  0.38970557  1
  H  H9  1  0.52431478  0.76247886  0.61031446  1
  H  H10  1  0.76840296  0.94543544  0.25921907  1
  H  H11  1  0.72928419  0.68837963  0.74311049  1
  H  H12  1  0.23159555  0.05456370  0.74077853  1
  H  H13  1  0.27071785  0.31162242  0.25689610  1
  H  H14  1  0.58005771  0.75739784  0.07974862  1
  H  H15  1  0.91676028  0.67981976  0.92268183  1
  H  H16  1  0.41994292  0.24260170  0.92024729  1
  H  H17  1  0.08323799  0.32018020  0.07732495  1
  H  H18  1  0.79746842  0.51292551  0.24092274  1
  H  H19  1  0.70565595  0.27184774  0.75706222  1
  H  H20  1  0.20252541  0.48707338  0.75907403  1
  H  H21  1  0.29434536  0.72815053  0.24293700  1
  H  H22  1  0.98596784  0.70797771  0.40796486  1
  H  H23  1  0.51626233  0.30024456  0.59078075  1
  H  H24  1  0.01402562  0.29202061  0.59203297  1
  H  H25  1  0.48374176  0.69975609  0.40921874  1
  H  H26  1  0.57385138  0.41314496  0.05626473  1
  H  H27  1  0.92821351  0.35599346  0.94117787  1
  H  H28  1  0.42614475  0.58685461  0.94373075  1
  H  H29  1  0.07178387  0.64400301  0.05882334  1
  C  C30  1  0.77024500  0.84760793  0.25050910  1
  C  C31  1  0.72836153  0.59878385  0.75095898  1
  C  C32  1  0.22975256  0.15239135  0.74948841  1
  C  C33  1  0.27164041  0.40121739  0.24904608  1
  C  C34  1  0.66415742  0.74223280  0.15175576  1
  C  C35  1  0.83417842  0.59216248  0.84971560  1
  C  C36  1  0.33584091  0.25776663  0.84824092  1
  C  C37  1  0.16582096  0.40783754  0.15028961  1
  C  C38  1  0.66844436  0.61775660  0.14654700  1
  C  C39  1  0.83178478  0.47219774  0.85358089  1
  C  C40  1  0.33155222  0.38224262  0.85344916  1
  C  C41  1  0.16821447  0.52780097  0.14642190  1
  C  C42  1  0.78634798  0.60712065  0.24191264  1
  C  C43  1  0.71525363  0.36563627  0.75714801  1
  C  C44  1  0.21364690  0.39287851  0.75808462  1
  C  C45  1  0.28474684  0.63436283  0.24285296  1
  C  C46  1  0.89060809  0.71617617  0.33631556  1
  C  C47  1  0.61066225  0.38046245  0.66309791  1
  C  C48  1  0.10938725  0.28382257  0.66368189  1
  C  C49  1  0.38934072  0.61953803  0.33690321  1
  C  C50  1  0.62230973  0.03374895  0.50073413  1
  C  C51  1  0.87758114  0.53311970  0.49933009  1
  C  C52  1  0.37768898  0.96625182  0.49926660  1
  C  C53  1  0.12242320  0.46688252  0.50067240  1
  C  C54  1  0.55519549  0.94485950  0.54062609  1
  C  C55  1  0.94501404  0.40408880  0.45927028  1
  C  C56  1  0.44480380  0.05514165  0.45937512  1
  C  C57  1  0.05499015  0.59591360  0.54073221  1
  C  C58  1  0.55954572  0.50275279  0.04898347  1
  C  C59  1  0.94098710  0.45382011  0.95039458  1
  C  C60  1  0.44045081  0.49724693  0.95101235  1
  C  C61  1  0.05901072  0.54617686  0.04960790  1
  N  N62  1  0.88069436  0.83592829  0.34301075  1
  N  N63  1  0.61933450  0.49411789  0.65747329  1
  N  N64  1  0.11930213  0.16407064  0.65698700  1
  N  N65  1  0.38066913  0.50588335  0.34252958  1
  O  O66  1  0.96065135  0.92435620  0.61441983  1
  O  O67  1  0.53962273  0.30937411  0.38582788  1
  O  O68  1  0.03934645  0.07564314  0.38557811  1
  O  O69  1  0.46038055  0.69062690  0.61417427  1
  O  O70  1  0.77171606  0.08150797  0.50624609  1
  O  O71  1  0.72800261  0.57546139  0.49412287  1
  O  O72  1  0.22828210  0.91849121  0.49375167  1
  O  O73  1  0.27200120  0.42454036  0.50588022  1
  O  O74  1  0.62805266  0.88273877  0.59508440  1
  O  O75  1  0.87228997  0.28742238  0.40507192  1
  O  O76  1  0.37194722  0.11726160  0.40491570  1
  O  O77  1  0.12771347  0.71257996  0.59492849  1
