# generated using pymatgen
data_Cr3H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.83789084
_cell_length_b   10.83189731
_cell_length_c   11.09078573
_cell_angle_alpha   88.18892205
_cell_angle_beta   88.00396114
_cell_angle_gamma   63.76284811
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3H8C14(NO)6
_chemical_formula_sum   'Cr6 H16 C28 N12 O12'
_cell_volume   1166.95976831
_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  0.91830958  0.08161751  0.25008927  1
  Cr  Cr1  1  0.08168596  0.91838571  0.74990950  1
  Cr  Cr2  1  0.85209877  0.99516575  -0.01222785  1
  Cr  Cr3  1  0.00424364  0.14823678  0.51261108  1
  Cr  Cr4  1  0.14789945  0.00483297  1.01222909  1
  Cr  Cr5  1  0.99575362  0.85176529  0.48738841  1
  H  H6  1  0.54452533  0.17297727  0.40519453  1
  H  H7  1  0.82591403  0.45517631  0.09604338  1
  H  H8  1  0.45547330  0.82701632  0.59480353  1
  H  H9  1  0.17409198  0.54482069  0.90395350  1
  H  H10  1  0.34317644  0.15721731  0.50766752  1
  H  H11  1  0.84178821  0.65604361  0.99316480  1
  H  H12  1  0.65682310  0.84278178  0.49233560  1
  H  H13  1  0.15822048  0.34395324  0.00683298  1
  H  H14  1  0.42869763  0.07893128  0.06121757  1
  H  H15  1  0.92244227  0.57138854  0.43885235  1
  H  H16  1  0.57130372  0.92106204  0.93876888  1
  H  H17  1  0.07755019  0.42861633  0.56115063  1
  H  H18  1  0.90556803  0.20672516  0.05394718  1
  H  H19  1  0.79347108  0.09376902  0.44654211  1
  H  H20  1  0.09443256  0.79327422  0.94605246  1
  H  H21  1  0.20652725  0.90623365  0.55345671  1
  C  C22  1  0.63415359  0.11454285  0.17190539  1
  C  C23  1  0.88533074  0.36589877  0.32887491  1
  C  C24  1  0.36584658  0.88546369  0.82812903  1
  C  C25  1  0.11466288  0.63409723  0.67110687  1
  C  C26  1  0.50523049  0.11901312  0.22782883  1
  C  C27  1  0.88106635  0.49458149  0.27280266  1
  C  C28  1  0.49476596  0.88098091  0.77215922  1
  C  C29  1  0.11893341  0.50542003  0.72719849  1
  C  C30  1  0.47641181  0.14605584  0.35337697  1
  C  C31  1  0.85342388  0.52323042  0.14750440  1
  C  C32  1  0.52359527  0.85394314  0.64663143  1
  C  C33  1  0.14657982  0.47676763  0.85249418  1
  C  C34  1  0.36384479  0.13841892  0.41150314  1
  C  C35  1  0.86109191  0.63556414  0.08914992  1
  C  C36  1  0.63615054  0.86157714  0.58849462  1
  C  C37  1  0.13891280  0.36443390  0.91084734  1
  C  C38  1  0.27745651  0.10480554  0.34226535  1
  C  C39  1  0.89542414  0.72194228  0.15791066  1
  C  C40  1  0.72254596  0.89519535  0.65774288  1
  C  C41  1  0.10457777  0.27805720  0.84208909  1
  C  C42  1  0.30109074  0.08536813  0.21732621  1
  C  C43  1  0.91552765  0.69847139  0.28266925  1
  C  C44  1  0.69891626  0.91462912  0.78266594  1
  C  C45  1  0.08447004  0.30152937  0.71733268  1
  C  C46  1  0.41346486  0.09359299  0.15802079  1
  C  C47  1  0.90727897  0.58631561  0.34222315  1
  C  C48  1  0.58654027  0.90640919  0.84200465  1
  C  C49  1  0.09271602  0.41368753  0.65777174  1
  N  N50  1  0.16659825  0.07865241  0.37264241  1
  N  N51  1  0.92155583  0.83276638  0.12724458  1
  N  N52  1  0.83339979  0.92134950  0.62735809  1
  N  N53  1  0.07844616  0.16723492  0.87275287  1
  N  N54  1  0.12272493  0.04548796  0.27271443  1
  N  N55  1  0.95503343  0.87687383  0.22700098  1
  N  N56  1  0.87727381  0.95451209  0.72728403  1
  N  N57  1  0.04496538  0.12312719  0.77299941  1
  N  N58  1  0.20070634  0.05357704  0.17675883  1
  N  N59  1  0.94771992  0.79884101  0.32274718  1
  N  N60  1  0.79929031  0.94642230  0.82324300  1
  N  N61  1  0.05227571  0.20116038  0.67725320  1
  O  O62  1  0.94417054  0.10858913  0.07415988  1
  O  O63  1  0.89157012  0.05548133  0.42598425  1
  O  O64  1  0.05582920  0.89141294  0.92583765  1
  O  O65  1  0.10842746  0.94452092  0.57401496  1
  O  O66  1  0.71357322  0.13698536  0.24166674  1
  O  O67  1  0.86234398  0.28645114  0.25931156  1
  O  O68  1  0.28642645  0.86301200  0.75832559  1
  O  O69  1  0.13765724  0.71355797  0.74069436  1
  O  O70  1  0.65979729  0.08708206  0.05953960  1
  O  O71  1  0.91307872  0.34046588  0.44099049  1
  O  O72  1  0.34020946  0.91291030  0.94043929  1
  O  O73  1  0.08692031  0.65953494  0.55901795  1
