# generated using pymatgen
data_CrCo2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87028877
_cell_length_b   10.86027284
_cell_length_c   10.85783208
_cell_angle_alpha   89.19403913
_cell_angle_beta   89.02877515
_cell_angle_gamma   63.74978982
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo2H8C14(NO)6
_chemical_formula_sum   'Cr2 Co4 H16 C28 N12 O12'
_cell_volume   1149.42575982
_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
  Co  Co0  1  0.90970277  0.08673100  0.24593591  1
  Co  Co1  1  0.09029672  0.91327232  0.75406359  1
  Co  Co2  1  0.85781447  0.98476052  -0.00458980  1
  Cr  Cr3  1  0.01270095  0.14236450  0.50178310  1
  Co  Co4  1  0.14218634  0.01523821  1.00458865  1
  Cr  Cr5  1  0.98729498  0.85764118  0.49821686  1
  H  H6  1  0.53594732  0.16825528  0.41438394  1
  H  H7  1  0.83072084  0.46196570  0.08805976  1
  H  H8  1  0.46405554  0.83173479  0.58562111  1
  H  H9  1  0.16928420  0.53803606  0.91193672  1
  H  H10  1  0.33188579  0.15547038  0.51221442  1
  H  H11  1  0.84243289  0.66579831  0.99055457  1
  H  H12  1  0.66810914  0.84452812  0.48778715  1
  H  H13  1  0.15757450  0.33420227  0.00944368  1
  H  H14  1  0.42476693  0.07413556  0.05783653  1
  H  H15  1  0.92904167  0.57429113  0.44381890  1
  H  H16  1  0.57523184  0.92586185  0.94216443  1
  H  H17  1  0.07095062  0.42571468  0.55618176  1
  H  H18  1  0.87481660  0.21274366  0.04095836  1
  H  H19  1  0.79211623  0.11212493  0.45355713  1
  H  H20  1  0.12518455  0.78725737  0.95903850  1
  H  H21  1  0.20788048  0.88787917  0.54644042  1
  C  C22  1  0.62545577  0.11681776  0.17536078  1
  C  C23  1  0.88553720  0.37084343  0.32605903  1
  C  C24  1  0.37454766  0.88317172  0.82464230  1
  C  C25  1  0.11445852  0.62916053  0.67393953  1
  C  C26  1  0.49706326  0.11721153  0.23056484  1
  C  C27  1  0.88459076  0.49936452  0.27200667  1
  C  C28  1  0.50293970  0.88278037  0.76943844  1
  C  C29  1  0.11540702  0.50063917  0.72799248  1
  C  C30  1  0.46792700  0.14314750  0.35822554  1
  C  C31  1  0.85675429  0.52936134  0.14440617  1
  C  C32  1  0.53207448  0.85684458  0.64177889  1
  C  C33  1  0.14324817  0.47064065  0.85559203  1
  C  C34  1  0.35374696  0.13768525  0.41398216  1
  C  C35  1  0.86171257  0.64332596  0.08835369  1
  C  C36  1  0.64625147  0.86231111  0.58601980  1
  C  C37  1  0.13829306  0.35667463  0.91164465  1
  C  C38  1  0.26747316  0.10744826  0.33915479  1
  C  C39  1  0.89279889  0.73031239  0.16198496  1
  C  C40  1  0.73252484  0.89254988  0.66084572  1
  C  C41  1  0.10720634  0.26968749  0.83801427  1
  C  C42  1  0.29425924  0.08375026  0.21271754  1
  C  C43  1  0.91527239  0.70431865  0.28859187  1
  C  C44  1  0.70574191  0.91624706  0.78728322  1
  C  C45  1  0.08472655  0.29568425  0.71140837  1
  C  C46  1  0.40798791  0.09016826  0.15640560  1
  C  C47  1  0.91164137  0.58990525  0.34547233  1
  C  C48  1  0.59201444  0.90982626  0.84359628  1
  C  C49  1  0.08835384  0.41009941  0.65452791  1
  N  N50  1  0.15160359  0.08913412  0.36437058  1
  N  N51  1  0.91051690  0.84618307  0.13533607  1
  N  N52  1  0.84839018  0.91087113  0.63562709  1
  N  N53  1  0.08949479  0.15381296  0.86466279  1
  N  N54  1  0.11148832  0.05191580  0.26018298  1
  N  N55  1  0.94567354  0.88792975  0.23756017  1
  N  N56  1  0.88850530  0.94809319  0.73981221  1
  N  N57  1  0.05433286  0.11206922  0.76243969  1
  N  N58  1  0.19315734  0.05234881  0.16756191  1
  N  N59  1  0.94219180  0.80792911  0.33339974  1
  N  N60  1  0.80684338  0.94765238  0.83243584  1
  N  N61  1  0.05780734  0.19207337  0.66660084  1
  O  O62  1  0.92814253  0.11499777  0.05698170  1
  O  O63  1  0.89112932  0.06087269  0.44096150  1
  O  O64  1  0.07185724  0.88500343  0.94301560  1
  O  O65  1  0.10886776  0.93913153  0.55903849  1
  O  O66  1  0.69885056  0.14657441  0.24808166  1
  O  O67  1  0.85040502  0.29988044  0.25669083  1
  O  O68  1  0.30115001  0.85342131  0.75191930  1
  O  O69  1  0.14959083  0.70012436  0.74330716  1
  O  O70  1  0.65166112  0.08534533  0.06184495  1
  O  O71  1  0.92302519  0.33920022  0.43971077  1
  O  O72  1  0.34834196  0.91464041  0.93815844  1
  O  O73  1  0.07696947  0.66080352  0.56028853  1
