# generated using pymatgen
data_CrNi2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86023099
_cell_length_b   10.85489000
_cell_length_c   10.84803466
_cell_angle_alpha   89.25379639
_cell_angle_beta   89.04888944
_cell_angle_gamma   63.79976141
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2H8C14(NO)6
_chemical_formula_sum   'Cr2 Ni4 H16 C28 N12 O12'
_cell_volume   1147.26459789
_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  0.90191397  0.09843842  0.25004747  1
  Cr  Cr1  1  0.09808420  0.90156559  0.74995034  1
  Ni  Ni2  1  0.85415315  0.98456054  -0.00479995  1
  Ni  Ni3  1  0.01507249  0.14629669  0.50478462  1
  Ni  Ni4  1  0.14585083  0.01543700  1.00479850  1
  Ni  Ni5  1  0.98492407  0.85370826  0.49521530  1
  H  H6  1  0.53657870  0.16737866  0.41441701  1
  H  H7  1  0.83134546  0.46402633  0.08666310  1
  H  H8  1  0.46342323  0.83261083  0.58558801  1
  H  H9  1  0.16865999  0.53597531  0.91333401  1
  H  H10  1  0.33246434  0.15463501  0.51190647  1
  H  H11  1  0.84325856  0.66828339  0.98901644  1
  H  H12  1  0.66752965  0.84536378  0.48809409  1
  H  H13  1  0.15674803  0.33171862  0.01098218  1
  H  H14  1  0.42516804  0.07338593  0.05786571  1
  H  H15  1  0.93028870  0.57472236  0.44167350  1
  H  H16  1  0.57483438  0.92661235  0.94213560  1
  H  H17  1  0.06970375  0.42528379  0.55832768  1
  H  H18  1  0.87862475  0.20692114  0.04350302  1
  H  H19  1  0.79332971  0.12139305  0.45677233  1
  H  H20  1  0.12137561  0.79308096  0.95649541  1
  H  H21  1  0.20666674  0.87861143  0.54322515  1
  C  C22  1  0.62584646  0.11622345  0.17497985  1
  C  C23  1  0.88448507  0.37450651  0.32539649  1
  C  C24  1  0.37415606  0.88376642  0.82502329  1
  C  C25  1  0.11551146  0.62549677  0.67460169  1
  C  C26  1  0.49728381  0.11721849  0.23024337  1
  C  C27  1  0.88372500  0.50284260  0.27011574  1
  C  C28  1  0.50271793  0.88277287  0.76976039  1
  C  C29  1  0.11627403  0.49715988  0.72988326  1
  C  C30  1  0.46766676  0.14316907  0.35825746  1
  C  C31  1  0.85643982  0.53268692  0.14246440  1
  C  C32  1  0.53233475  0.85682298  0.64174525  1
  C  C33  1  0.14356377  0.46731546  0.85753389  1
  C  C34  1  0.35383361  0.13711568  0.41352994  1
  C  C35  1  0.86201477  0.64658488  0.08707996  1
  C  C36  1  0.64616491  0.86288116  0.58647136  1
  C  C37  1  0.13799042  0.35341671  0.91291865  1
  C  C38  1  0.26659223  0.10640681  0.33933574  1
  C  C39  1  0.89372606  0.73361370  0.16082624  1
  C  C40  1  0.73340623  0.89359213  0.66066442  1
  C  C41  1  0.10627877  0.26638682  0.83917353  1
  C  C42  1  0.29321152  0.08333516  0.21235761  1
  C  C43  1  0.91836612  0.70665570  0.28738489  1
  C  C44  1  0.70678835  0.91666146  0.78764278  1
  C  C45  1  0.08163212  0.29334778  0.71261607  1
  C  C46  1  0.40766178  0.08996781  0.15639519  1
  C  C47  1  0.91230667  0.59215232  0.34344847  1
  C  C48  1  0.59233908  0.91002642  0.84360674  1
  C  C49  1  0.08768968  0.40785150  0.65655185  1
  N  N50  1  0.15035790  0.09009378  0.36594262  1
  N  N51  1  0.90965123  0.84993660  0.13409343  1
  N  N52  1  0.84963776  0.90991021  0.63405546  1
  N  N53  1  0.09035892  0.15006140  0.86590617  1
  N  N54  1  0.10729895  0.05802816  0.26142992  1
  N  N55  1  0.94309032  0.89275765  0.23810816  1
  N  N56  1  0.89269613  0.94197773  0.73856718  1
  N  N57  1  0.05691431  0.10724297  0.76189200  1
  N  N58  1  0.19083986  0.05519289  0.16692698  1
  N  N59  1  0.94711164  0.80888371  0.33247433  1
  N  N60  1  0.80915797  0.94480837  0.83307133  1
  N  N61  1  0.05288565  0.19112089  0.66752652  1
  O  O62  1  0.92601314  0.11068991  0.06872016  1
  O  O63  1  0.88960881  0.07409724  0.43131049  1
  O  O64  1  0.07398701  0.88931217  0.93127743  1
  O  O65  1  0.11038855  0.92590709  0.56868819  1
  O  O66  1  0.70031428  0.14601379  0.24871833  1
  O  O67  1  0.85384392  0.30020819  0.25200345  1
  O  O68  1  0.29968639  0.85398187  0.75128101  1
  O  O69  1  0.14615253  0.69979594  0.74799287  1
  O  O70  1  0.65308143  0.08523167  0.06227931  1
  O  O71  1  0.91600796  0.34730642  0.43777966  1
  O  O72  1  0.34692454  0.91474945  0.93772564  1
  O  O73  1  0.08398571  0.65269780  0.56221929  1
