# generated using pymatgen
data_Cr2NiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.83097108
_cell_length_b   10.83228620
_cell_length_c   10.92122317
_cell_angle_alpha   88.93340451
_cell_angle_beta   88.60635653
_cell_angle_gamma   63.83581703
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiH8C14(NO)6
_chemical_formula_sum   'Cr4 Ni2 H16 C28 N12 O12'
_cell_volume   1149.64704681
_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  0.91453115  0.09311333  0.25689683  1
  Cr  Cr1  1  0.08546752  0.90688873  0.74310341  1
  Cr  Cr2  1  0.85368008  0.99377516  -0.01122274  1
  Ni  Ni3  1  0.02215381  0.14275490  0.50840681  1
  Cr  Cr4  1  0.14631946  0.00622398  1.01122272  1
  Ni  Ni5  1  0.97784261  0.85724736  0.49159332  1
  H  H6  1  0.54798016  0.16793674  0.41290469  1
  H  H7  1  0.82752847  0.46390554  0.09256291  1
  H  H8  1  0.45202311  0.83205528  0.58709713  1
  H  H9  1  0.17247541  0.53609333  0.90743355  1
  H  H10  1  0.34412301  0.15747721  0.51462634  1
  H  H11  1  0.84296842  0.66644300  0.99261285  1
  H  H12  1  0.65587844  0.84251978  0.48537548  1
  H  H13  1  0.15704024  0.33355421  0.00738476  1
  H  H14  1  0.42713936  0.07958650  0.06115765  1
  H  H15  1  0.92524142  0.57681821  0.44368594  1
  H  H16  1  0.57286307  0.92040866  0.93884418  1
  H  H17  1  0.07475045  0.42318584  0.55631438  1
  H  H18  1  0.90328198  0.20651886  0.05302604  1
  H  H19  1  0.79511538  0.13018064  0.46226225  1
  H  H20  1  0.09671683  0.79348269  0.94697337  1
  H  H21  1  0.20487981  0.86982374  0.53773706  1
  C  C22  1  0.63437553  0.11419173  0.17504109  1
  C  C23  1  0.88828867  0.37215602  0.32827093  1
  C  C24  1  0.36562525  0.88580610  0.82496013  1
  C  C25  1  0.11170863  0.62784596  0.67172498  1
  C  C26  1  0.50568882  0.11809455  0.23134863  1
  C  C27  1  0.88392989  0.50191290  0.27306544  1
  C  C28  1  0.49431291  0.88190141  0.76865280  1
  C  C29  1  0.11606899  0.49808915  0.72693334  1
  C  C30  1  0.47780679  0.14403413  0.35905905  1
  C  C31  1  0.85542540  0.53137551  0.14649218  1
  C  C32  1  0.52219608  0.85596069  0.64094339  1
  C  C33  1  0.14457768  0.46862523  0.85350660  1
  C  C34  1  0.36426827  0.13869542  0.41691926  1
  C  C35  1  0.86312300  0.64410265  0.08974661  1
  C  C36  1  0.63573233  0.86130147  0.58308206  1
  C  C37  1  0.13688226  0.35589549  0.91025160  1
  C  C38  1  0.27585125  0.10724663  0.34572726  1
  C  C39  1  0.89897120  0.72865458  0.16165061  1
  C  C40  1  0.72414722  0.89275431  0.65427386  1
  C  C41  1  0.10103191  0.27134530  0.83834828  1
  C  C42  1  0.29886057  0.08934934  0.21862634  1
  C  C43  1  0.92060199  0.70489886  0.28790326  1
  C  C44  1  0.70113959  0.91064976  0.78137460  1
  C  C45  1  0.07939801  0.29510250  0.71209675  1
  C  C46  1  0.41250785  0.09466193  0.15948482  1
  C  C47  1  0.91099432  0.59242734  0.34549533  1
  C  C48  1  0.58749382  0.90533438  0.84051599  1
  C  C49  1  0.08900190  0.40757566  0.65450253  1
  N  N50  1  0.16302089  0.08390753  0.37479285  1
  N  N51  1  0.92441385  0.83924864  0.13193327  1
  N  N52  1  0.83697568  0.91609695  0.62520611  1
  N  N53  1  0.07558967  0.16075032  0.86806545  1
  N  N54  1  0.11826339  0.05370225  0.27160033  1
  N  N55  1  0.95614671  0.88517683  0.23413396  1
  N  N56  1  0.88173509  0.94629913  0.72839831  1
  N  N57  1  0.04385328  0.11482438  0.76586560  1
  N  N58  1  0.19656070  0.06136341  0.17575986  1
  N  N59  1  0.95417082  0.80581643  0.32981036  1
  N  N60  1  0.80343855  0.93863820  0.82424024  1
  N  N61  1  0.04582776  0.19418476  0.67019000  1
  O  O62  1  0.94285204  0.10926531  0.07585755  1
  O  O63  1  0.89024997  0.07599900  0.43498149  1
  O  O64  1  0.05714929  0.89073176  0.92414311  1
  O  O65  1  0.10974784  0.92400384  0.56501798  1
  O  O66  1  0.71131950  0.14231984  0.24520373  1
  O  O67  1  0.85922702  0.29647863  0.25537383  1
  O  O68  1  0.28867933  0.85768035  0.75479682  1
  O  O69  1  0.14077070  0.70352392  0.74462596  1
  O  O70  1  0.66120543  0.08264533  0.06170224  1
  O  O71  1  0.92205080  0.34343484  0.43905067  1
  O  O72  1  0.33879508  0.91735184  0.93829878  1
  O  O73  1  0.07794682  0.65656655  0.56094921  1
