# generated using pymatgen
data_CrNi4H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32464887
_cell_length_b   9.68092193
_cell_length_c   13.59923334
_cell_angle_alpha   103.69185307
_cell_angle_beta   90.00009515
_cell_angle_gamma   90.00009605
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi4H32C12(NO2)6
_chemical_formula_sum   'Cr2 Ni8 H64 C24 N12 O24'
_cell_volume   1192.73356737
_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  0.08567871  0.84682798  0.73574469  1
  Ni  Ni1  1  0.58547304  0.65299535  0.76431060  1
  Ni  Ni2  1  0.91449385  0.15309924  0.26424292  1
  Ni  Ni3  1  0.41431228  0.34682604  0.23574534  1
  Ni  Ni4  1  0.92767138  0.56434416  0.73063401  1
  Ni  Ni5  1  0.42778370  0.93567184  0.76924267  1
  Ni  Ni6  1  0.07220280  0.43570430  0.26920283  1
  Ni  Ni7  1  0.57231203  0.06434210  0.23066833  1
  Cr  Cr8  1  -0.00002228  1.00014127  0.99990070  1
  Cr  Cr9  1  0.50004865  0.50012437  0.49989268  1
  H  H10  1  0.18911881  0.21427399  0.10163822  1
  H  H11  1  0.68915750  0.28577214  0.39813053  1
  H  H12  1  0.81084806  0.78575330  0.89814033  1
  H  H13  1  0.31087495  0.71429318  0.60162414  1
  H  H14  1  0.26057757  0.11574136  0.99024101  1
  H  H15  1  0.76076514  0.38429699  0.50941017  1
  H  H16  1  0.73919649  0.88426397  0.00939334  1
  H  H17  1  0.23939966  0.61574361  0.49025350  1
  H  H18  1  0.51979953  0.42724817  0.82597784  1
  H  H19  1  0.01992712  0.07273057  0.67412834  1
  H  H20  1  0.48007870  0.57273594  0.17413794  1
  H  H21  1  0.98025371  0.92721552  0.32591816  1
  H  H22  1  0.51848023  0.22002482  0.88227787  1
  H  H23  1  0.01855853  0.28010326  0.61783065  1
  H  H24  1  0.48146051  0.78007634  0.11784837  1
  H  H25  1  0.98151750  0.72006412  0.38227236  1
  H  H26  1  0.74122975  0.01015170  0.84933059  1
  H  H27  1  0.24117439  0.48977975  0.65055159  1
  H  H28  1  0.25893356  0.98976286  0.15057372  1
  H  H29  1  0.75880855  0.51015097  0.34930912  1
  H  H30  1  0.89430871  0.05824691  0.77150434  1
  H  H31  1  0.39407848  0.44174557  0.72848502  1
  H  H32  1  0.10578101  0.94189731  0.22859792  1
  H  H33  1  0.60567679  0.55821289  0.27145827  1
  H  H34  1  0.19950403  0.33738342  0.96370318  1
  H  H35  1  0.69941395  0.16292832  0.53616269  1
  H  H36  1  0.80059363  0.66300077  0.03620374  1
  H  H37  1  0.30050602  0.83735294  0.46366205  1
  H  H38  1  0.28134825  0.12331350  0.83873932  1
  H  H39  1  0.78153616  0.37644169  0.66090582  1
  H  H40  1  0.71852277  0.87651360  0.16093753  1
  H  H41  1  0.21868792  0.62327830  0.33873158  1
  H  H42  1  0.58217562  0.35799534  0.04101921  1
  H  H43  1  0.08220187  0.14163875  0.45923561  1
  H  H44  1  0.41781860  0.64166196  0.95924231  1
  H  H45  1  0.91779985  0.85798671  0.54102518  1
  H  H46  1  0.72973084  0.42809819  -0.01221388  1
  H  H47  1  0.22976002  0.07172449  0.51259282  1
  H  H48  1  0.27025790  0.57174490  1.01259018  1
  H  H49  1  0.77023918  0.92809130  0.48779425  1
  H  H50  1  0.80920291  0.26462714  0.09060592  1
  H  H51  1  0.30901055  0.23503825  0.40952289  1
  H  H52  1  0.19100998  0.73506731  0.90953438  1
  H  H53  1  0.69077650  0.76460371  0.59059078  1
  H  H54  1  0.69767038  0.12806797  0.02338421  1
  H  H55  1  0.19740778  0.37159367  0.47669141  1
  H  H56  1  0.30259859  0.87161349  0.97670304  1
  H  H57  1  0.80231988  0.62805244  0.52337192  1
  H  H58  1  0.78260705  0.29363589  0.79026442  1
  H  H59  1  0.28264934  0.20646624  0.70993727  1
  H  H60  1  0.21731853  0.70650199  0.20993603  1
  H  H61  1  0.71737269  0.79364544  0.29026761  1
  H  H62  1  0.65656703  0.15195772  0.74043145  1
  H  H63  1  0.15661939  0.34810414  0.75970972  1
  H  H64  1  0.34334514  0.84813187  0.25974680  1
  H  H65  1  0.84342009  0.65199057  0.24042342  1
  H  H66  1  0.96577574  0.44285918  0.11276219  1
  H  H67  1  0.46603702  0.05750942  0.38712306  1
  H  H68  1  0.03401779  0.55748151  0.88703910  1
  H  H69  1  0.53425472  0.94282772  0.61283761  1
  H  H70  1  0.96611716  0.34283364  0.88835341  1
  H  H71  1  0.46635264  0.15737705  0.61163019  1
  H  H72  1  0.03363335  0.65743878  0.11166368  1
  H  H73  1  0.53388139  0.84280479  0.38833712  1
  C  C74  1  0.80574033  0.10234920  0.84264114  1
  C  C75  1  0.30567773  0.39766528  0.65739031  1
  C  C76  1  0.19433367  0.89771087  0.15741025  1
  C  C77  1  0.69429123  0.60234740  0.34263457  1
  C  C78  1  0.11833083  0.25918465  0.97232326  1
  C  C79  1  0.61831964  0.24119184  0.52756257  1
  C  C80  1  0.88169478  0.74124656  0.02759290  1
  C  C81  1  0.38166396  0.75914576  0.47229123  1
  C  C82  1  0.66771309  0.32992249  0.98427525  1
  C  C83  1  0.16771604  0.16984927  0.51598237  1
  C  C84  1  0.33230208  0.66987157  0.01599350  1
  C  C85  1  0.83227057  0.82992142  0.48427396  1
  C  C86  1  0.76239869  0.21949062  0.01625937  1
  C  C87  1  0.26224595  0.28026728  0.48385917  1
  C  C88  1  0.23777033  0.78028367  0.98387012  1
  C  C89  1  0.73759354  0.71947587  0.51624840  1
  C  C90  1  0.71320877  0.21124510  0.80882757  1
  C  C91  1  0.21323256  0.28880580  0.69131790  1
  C  C92  1  0.28675740  0.78884061  0.19133999  1
  C  C93  1  0.78679038  0.71126479  0.30882499  1
  C  C94  1  0.98679746  0.26264564  0.93243269  1
  C  C95  1  0.48681597  0.23762277  0.56751968  1
  C  C96  1  0.01319526  0.73767749  0.06754449  1
  C  C97  1  0.51320209  0.76261013  0.43241320  1
  N  N98  1  0.87629200  0.16344532  0.93965982  1
  N  N99  1  0.37616612  0.33657450  0.56035903  1
  N  N100  1  0.12386148  0.83659913  0.06036492  1
  N  N101  1  0.62371694  0.66342250  0.43964333  1
  N  N102  1  0.16467113  0.15715036  0.02426885  1
  N  N103  1  0.66478306  0.34301940  0.47548568  1
  N  N104  1  0.83520242  0.84303380  0.97548868  1
  N  N105  1  0.33531458  0.65714542  0.52426208  1
  N  N106  1  0.60823596  0.28371300  0.88301982  1
  N  N107  1  0.10819931  0.21628810  0.61720140  1
  N  N108  1  0.39179796  0.71629924  0.11722203  1
  N  N109  1  0.89175885  0.78374803  0.38301669  1
  O  O110  1  0.07110390  0.92039409  0.88229081  1
  O  O111  1  0.57060702  0.57895674  0.61778525  1
  O  O112  1  0.92932865  0.07892967  0.11777990  1
  O  O113  1  0.42883575  0.42043008  0.38228747  1
  O  O114  1  -0.03610313  1.00166494  0.70029663  1
  O  O115  1  0.46369243  0.49829620  0.79985920  1
  O  O116  1  1.03637078  -0.00163793  0.29991301  1
  O  O117  1  0.53611674  0.50167042  0.20030264  1
  O  O118  1  0.86880157  0.40025102  0.62877524  1
  O  O119  1  0.36851464  0.09966420  0.87098099  1
  O  O120  1  0.13147178  0.59968083  0.37094743  1
  O  O121  1  0.63121032  0.90024965  0.12882307  1
  O  O122  1  0.03287327  0.66724391  0.66216092  1
  O  O123  1  0.53265378  0.83261870  0.83778268  1
  O  O124  1  0.96734216  0.33266884  0.33775495  1
  O  O125  1  0.46711619  0.16722293  0.16218089  1
  O  O126  1  0.28118578  0.83083757  0.70100992  1
  O  O127  1  0.78112067  0.66943113  0.79866636  1
  O  O128  1  0.71887246  0.16943983  0.29866561  1
  O  O129  1  0.21880597  0.33083873  0.20099378  1
  O  O130  1  0.01953592  0.47758955  0.82901899  1
  O  O131  1  0.52004305  1.02255235  0.67102837  1
  O  O132  1  0.97995084  0.52255457  0.17097636  1
  O  O133  1  0.48045966  -0.02236048  0.32908031  1
