# generated using pymatgen
data_Cr2NiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.91671697
_cell_length_b   10.90975607
_cell_length_c   10.98805715
_cell_angle_alpha   88.49667760
_cell_angle_beta   88.30525599
_cell_angle_gamma   63.40894737
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiH8C14(NO)6
_chemical_formula_sum   'Cr4 Ni2 H16 C28 N12 O12'
_cell_volume   1169.60298321
_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  0.91627756  0.08356290  0.25011678  1
  Ni  Ni1  1  0.08372482  0.91643690  0.74988305  1
  Cr  Cr2  1  0.85554897  0.99425782  -0.01161321  1
  Cr  Cr3  1  0.00476979  0.14498895  0.51196973  1
  Cr  Cr4  1  0.14445192  0.00574427  1.01161187  1
  Cr  Cr5  1  0.99521404  0.85501923  0.48803228  1
  H  H6  1  0.54680654  0.17294551  0.40543706  1
  H  H7  1  0.82613504  0.45291809  0.09550263  1
  H  H8  1  0.45319545  0.82704870  0.59456538  1
  H  H9  1  0.17386729  0.54708275  0.90449410  1
  H  H10  1  0.34611285  0.15929066  0.50912423  1
  H  H11  1  0.83931632  0.65355174  0.99168738  1
  H  H12  1  0.65388833  0.84070340  0.49087739  1
  H  H13  1  0.16069135  0.34644574  0.00830869  1
  H  H14  1  0.42891594  0.08144024  0.05777701  1
  H  H15  1  0.92047396  0.57079933  0.44203481  1
  H  H16  1  0.57108652  0.91855818  0.94222368  1
  H  H17  1  0.07951758  0.42920654  0.55796353  1
  H  H18  1  0.90049526  0.20650013  0.05467673  1
  H  H19  1  0.79374035  0.09828779  0.44603925  1
  H  H20  1  0.09950586  0.79350132  0.94532576  1
  H  H21  1  0.20624771  0.90171738  0.55395042  1
  C  C22  1  0.63521882  0.11507748  0.17121505  1
  C  C23  1  0.88492919  0.36483895  0.32935891  1
  C  C24  1  0.36478272  0.88492103  0.82878769  1
  C  C25  1  0.11506881  0.63516441  0.67063958  1
  C  C26  1  0.50599128  0.12034596  0.22654813  1
  C  C27  1  0.87997857  0.49373595  0.27382859  1
  C  C28  1  0.49401008  0.87965082  0.77345342  1
  C  C29  1  0.12001990  0.50626674  0.72616871  1
  C  C30  1  0.47808396  0.14752141  0.35307063  1
  C  C31  1  0.85208032  0.52157922  0.14759481  1
  C  C32  1  0.52191843  0.85247405  0.64693173  1
  C  C33  1  0.14792196  0.47842152  0.85240220  1
  C  C34  1  0.36626723  0.14110532  0.41193899  1
  C  C35  1  0.85818310  0.63343075  0.08865898  1
  C  C36  1  0.63373481  0.85888918  0.58806345  1
  C  C37  1  0.14182204  0.36656928  0.91133754  1
  C  C38  1  0.28041863  0.10856760  0.34156295  1
  C  C39  1  0.89134775  0.71927670  0.15863466  1
  C  C40  1  0.71958426  0.89142727  0.65843818  1
  C  C41  1  0.10865560  0.28072343  0.84136330  1
  C  C42  1  0.30347288  0.08827054  0.21544980  1
  C  C43  1  0.91282880  0.69597491  0.28442088  1
  C  C44  1  0.69652531  0.91173208  0.78455038  1
  C  C45  1  0.08716918  0.30402772  0.71557696  1
  C  C46  1  0.41466247  0.09575140  0.15556247  1
  C  C47  1  0.90548340  0.58492177  0.34443474  1
  C  C48  1  0.58533863  0.90424733  0.84443862  1
  C  C49  1  0.09451241  0.41508201  0.65556399  1
  N  N50  1  0.17149869  0.08152013  0.37231459  1
  N  N51  1  0.91745480  0.82873305  0.12780363  1
  N  N52  1  0.82851273  0.91846034  0.62769053  1
  N  N53  1  0.08255164  0.17126530  0.87219587  1
  N  N54  1  0.13127100  0.04376905  0.27271051  1
  N  N55  1  0.95660918  0.86850053  0.22690620  1
  N  N56  1  0.86873049  0.95622749  0.72729274  1
  N  N57  1  0.04339281  0.13149930  0.77309416  1
  N  N58  1  0.20519662  0.05324073  0.17601745  1
  N  N59  1  0.94829663  0.79415186  0.32354081  1
  N  N60  1  0.79480128  0.94676222  0.82398376  1
  N  N61  1  0.05169944  0.20585056  0.67645988  1
  O  O62  1  0.94307039  0.10795507  0.07092720  1
  O  O63  1  0.89221153  0.05653210  0.42927045  1
  O  O64  1  0.05693111  0.89204642  0.92907281  1
  O  O65  1  0.10777777  0.94347246  0.57072889  1
  O  O66  1  0.71126775  0.13962170  0.24134243  1
  O  O67  1  0.85967960  0.28878540  0.25960659  1
  O  O68  1  0.28873245  0.86037948  0.75865842  1
  O  O69  1  0.14032422  0.71121392  0.74039239  1
  O  O70  1  0.66233428  0.08387274  0.05799556  1
  O  O71  1  0.91651801  0.33801866  0.44232217  1
  O  O72  1  0.33766828  0.91612266  0.94200619  1
  O  O73  1  0.08347577  0.66198919  0.55767726  1
