# generated using pymatgen
data_CrNi2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86623344
_cell_length_b   10.86462844
_cell_length_c   10.86060936
_cell_angle_alpha   89.15629411
_cell_angle_beta   88.88911084
_cell_angle_gamma   63.72584124
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2H8C14(NO)6
_chemical_formula_sum   'Cr2 Ni4 H16 C28 N12 O12'
_cell_volume   1149.46762699
_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
  Ni  Ni0  1  0.90448873  0.09945126  0.25656776  1
  Ni  Ni1  1  0.09550964  0.90055168  0.74343065  1
  Cr  Cr2  1  0.85703778  0.99129791  -0.00656522  1
  Ni  Ni3  1  0.01945011  0.13927730  0.50586614  1
  Cr  Cr4  1  0.14296417  0.00869829  1.00656658  1
  Ni  Ni5  1  0.98054661  0.86072791  0.49413337  1
  H  H6  1  0.54212123  0.16761836  0.41168495  1
  H  H7  1  0.83035036  0.46291677  0.08852786  1
  H  H8  1  0.45788338  0.83237097  0.58831772  1
  H  H9  1  0.16965397  0.53708275  0.91146968  1
  H  H10  1  0.33763457  0.15695359  0.51062548  1
  H  H11  1  0.84214996  0.66732040  0.99038726  1
  H  H12  1  0.66236497  0.84304435  0.48937611  1
  H  H13  1  0.15785794  0.33267897  0.00961009  1
  H  H14  1  0.42692171  0.07621268  0.05556301  1
  H  H15  1  0.92799641  0.57410389  0.44330462  1
  H  H16  1  0.57307887  0.92378294  0.94443857  1
  H  H17  1  0.07199448  0.42590188  0.55669505  1
  H  H18  1  0.89554126  0.20590041  0.04874585  1
  H  H19  1  0.79386062  0.12558694  0.46345409  1
  H  H20  1  0.10445819  0.79409992  0.95124839  1
  H  H21  1  0.20613623  0.87441838  0.53654228  1
  C  C22  1  0.63102773  0.11496854  0.17317338  1
  C  C23  1  0.88445005  0.37274091  0.32539886  1
  C  C24  1  0.36897484  0.88502554  0.82683040  1
  C  C25  1  0.11554668  0.62726269  0.67460035  1
  C  C26  1  0.50300055  0.11602159  0.22806118  1
  C  C27  1  0.88361335  0.50157727  0.27115594  1
  C  C28  1  0.49700205  0.88397133  0.77194126  1
  C  C29  1  0.11638387  0.49842560  0.72884225  1
  C  C30  1  0.47379907  0.14266918  0.35599651  1
  C  C31  1  0.85604374  0.53103701  0.14405224  1
  C  C32  1  0.52620353  0.85732328  0.64400611  1
  C  C33  1  0.14395833  0.46896408  0.85594515  1
  C  C34  1  0.35983850  0.13792216  0.41261552  1
  C  C35  1  0.86135251  0.64496586  0.08820050  1
  C  C36  1  0.64016199  0.86207392  0.58738615  1
  C  C37  1  0.13865240  0.35503424  0.91179722  1
  C  C38  1  0.27259725  0.10806299  0.33909985  1
  C  C39  1  0.89315245  0.73074884  0.16221272  1
  C  C40  1  0.72740171  0.89193600  0.66090142  1
  C  C41  1  0.10685261  0.26925023  0.83778612  1
  C  C42  1  0.29656742  0.08976317  0.21174610  1
  C  C43  1  0.91726259  0.70465009  0.28864102  1
  C  C44  1  0.70343221  0.91023563  0.78825471  1
  C  C45  1  0.08273699  0.29535141  0.71135864  1
  C  C46  1  0.41154742  0.09186149  0.15421803  1
  C  C47  1  0.91134832  0.59067065  0.34490815  1
  C  C48  1  0.58845401  0.90813365  0.84578463  1
  C  C49  1  0.08864696  0.40933289  0.65509092  1
  N  N50  1  0.16046078  0.08453205  0.36698568  1
  N  N51  1  0.91752262  0.84201356  0.13499650  1
  N  N52  1  0.83953469  0.91547182  0.63301392  1
  N  N53  1  0.08248644  0.15798343  0.86500182  1
  N  N54  1  0.11990342  0.04915223  0.26449350  1
  N  N55  1  0.95568006  0.88207422  0.23714416  1
  N  N56  1  0.88009134  0.95085357  0.73550513  1
  N  N57  1  0.04432373  0.11792508  0.76285613  1
  N  N58  1  0.19370207  0.06224373  0.16843197  1
  N  N59  1  0.95163465  0.80435392  0.33194178  1
  N  N60  1  0.80629390  0.93776121  0.83156821  1
  N  N61  1  0.04836431  0.19564791  0.66805851  1
  O  O62  1  0.94028393  0.10813669  0.06935714  1
  O  O63  1  0.88903794  0.07289189  0.43701715  1
  O  O64  1  0.05971350  0.89186454  0.93064081  1
  O  O65  1  0.11095974  0.92711224  0.56298219  1
  O  O66  1  0.70100277  0.15176047  0.24178631  1
  O  O67  1  0.84984325  0.30314382  0.25223491  1
  O  O68  1  0.29899594  0.84823880  0.75821582  1
  O  O69  1  0.15015504  0.69685884  0.74776365  1
  O  O70  1  0.66265162  0.07625868  0.06000557  1
  O  O71  1  0.92115099  0.34175339  0.43669078  1
  O  O72  1  0.33735312  0.92373174  0.93999866  1
  O  O73  1  0.07884432  0.65825120  0.56330850  1
