# generated using pymatgen
data_Cr4NiH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35061036
_cell_length_b   9.70063358
_cell_length_c   13.66987522
_cell_angle_alpha   103.30318272
_cell_angle_beta   90.00001607
_cell_angle_gamma   90.00012880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr4NiH32C12(NO2)6
_chemical_formula_sum   'Cr8 Ni2 H64 C24 N12 O24'
_cell_volume   1206.67851242
_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  0.10453315  0.86658523  0.72810702  1
  Cr  Cr1  1  0.60453641  0.63340560  0.77189126  1
  Cr  Cr2  1  0.89546510  0.13341452  0.27189251  1
  Cr  Cr3  1  0.39546265  0.36659739  0.22811156  1
  Cr  Cr4  1  0.95775709  0.56038499  0.71826577  1
  Cr  Cr5  1  0.45775589  0.93960584  0.78173747  1
  Cr  Cr6  1  0.04224131  0.43961733  0.28173545  1
  Cr  Cr7  1  0.54224096  0.06039409  0.21826183  1
  Ni  Ni8  1  -0.00000021  0.99999992  0.99999925  1
  Ni  Ni9  1  0.50000010  0.50000007  0.50000088  1
  H  H10  1  0.18636135  0.18393882  0.08771830  1
  H  H11  1  0.68635844  0.31605835  0.41227945  1
  H  H12  1  0.81364052  0.81606103  0.91228079  1
  H  H13  1  0.31364243  0.68394186  0.58772224  1
  H  H14  1  0.27379938  0.08941437  0.98822924  1
  H  H15  1  0.77379919  0.41058304  0.51176638  1
  H  H16  1  0.72620119  0.91058467  0.01176947  1
  H  H17  1  0.22620100  0.58941765  0.48823579  1
  H  H18  1  0.57966767  0.37830746  0.86663207  1
  H  H19  1  0.07967049  0.12168276  0.63336893  1
  H  H20  1  0.42033188  0.62169384  0.13336891  1
  H  H21  1  0.92032818  0.87831762  0.36662935  1
  H  H22  1  0.54789332  0.20814958  0.88275987  1
  H  H23  1  0.04789222  0.29184081  0.61724296  1
  H  H24  1  0.45210519  0.79185101  0.11723939  1
  H  H25  1  0.95210801  0.70816074  0.38275683  1
  H  H26  1  0.77772773  0.03146680  0.84815224  1
  H  H27  1  0.27772695  0.46852840  0.65185015  1
  H  H28  1  0.22227106  0.96853379  0.15184620  1
  H  H29  1  0.72227407  0.53147022  0.34815255  1
  H  H30  1  0.93153158  0.10634350  0.80627549  1
  H  H31  1  0.43153120  0.39365260  0.69372655  1
  H  H32  1  0.06846690  0.89365743  0.19372218  1
  H  H33  1  0.56846931  0.60634368  0.30627498  1
  H  H34  1  0.21700006  0.32258661  0.96740898  1
  H  H35  1  0.71699925  0.17741113  0.53258886  1
  H  H36  1  0.78300110  0.67741228  0.03258913  1
  H  H37  1  0.28300199  0.82258855  0.46741218  1
  H  H38  1  0.14936082  0.18000987  0.87372307  1
  H  H39  1  0.64936458  0.31998961  0.62627566  1
  H  H40  1  0.85064099  0.81998805  0.12627571  1
  H  H41  1  0.35063654  0.68000952  0.37372607  1
  H  H42  1  0.57757797  0.36225809  0.04289875  1
  H  H43  1  0.07757917  0.13773564  0.45710232  1
  H  H44  1  0.42242252  0.63774137  0.95710183  1
  H  H45  1  0.92242112  0.86226690  0.54289604  1
  H  H46  1  0.73627312  0.43207002  0.00140485  1
  H  H47  1  0.23627689  0.06792573  0.49859711  1
  H  H48  1  0.26372703  0.56792945  0.99859493  1
  H  H49  1  0.76372197  0.93207469  0.50140137  1
  H  H50  1  0.79041665  0.25563390  0.10400131  1
  H  H51  1  0.29041455  0.24436421  0.39600065  1
  H  H52  1  0.20958522  0.74436455  0.89599750  1
  H  H53  1  0.70958830  0.75563774  0.60400032  1
  H  H54  1  0.68840587  0.12534274  0.02089005  1
  H  H55  1  0.18840325  0.37465331  0.47911354  1
  H  H56  1  0.31159543  0.87465635  0.97910876  1
  H  H57  1  0.81159928  0.62534850  0.52088716  1
  H  H58  1  0.81054060  0.33435464  0.81599538  1
  H  H59  1  0.31054204  0.16564175  0.68400772  1
  H  H60  1  0.18945806  0.66564687  0.18400459  1
  H  H61  1  0.68945669  0.83435352  0.31598975  1
  H  H62  1  0.70690450  0.19223712  0.74513335  1
  H  H63  1  0.20690463  0.30775756  0.75486835  1
  H  H64  1  0.29309381  0.80776554  0.25486584  1
  H  H65  1  0.79309559  0.69223688  0.24513164  1
  H  H66  1  0.98418251  0.34831534  0.05655560  1
  H  H67  1  0.48418022  0.15168206  0.44344605  1
  H  H68  1  0.01581833  0.65168456  0.94344271  1
  H  H69  1  0.51582134  0.84831816  0.55655462  1
  H  H70  1  0.96576867  0.36637942  0.92961026  1
  H  H71  1  0.46577025  0.13361948  0.57039213  1
  H  H72  1  0.03423306  0.63362033  0.07038792  1
  H  H73  1  0.53423052  0.86637912  0.42960814  1
  C  C74  1  0.83852451  0.13003280  0.85564557  1
  C  C75  1  0.33852380  0.36996295  0.64435667  1
  C  C76  1  0.16147487  0.86996813  0.14435261  1
  C  C77  1  0.66147732  0.63003483  0.35564487  1
  C  C78  1  0.14027053  0.23445531  0.95306743  1
  C  C79  1  0.64027110  0.26554300  0.54693106  1
  C  C80  1  0.85973050  0.76554364  0.04693098  1
  C  C81  1  0.35972982  0.73445646  0.45307035  1
  C  C82  1  0.67239229  0.33558844  0.99516650  1
  C  C83  1  0.17239264  0.16440573  0.50483497  1
  C  C84  1  0.32760766  0.66441125  0.00483294  1
  C  C85  1  0.82760822  0.83559571  0.49516423  1
  C  C86  1  0.75646905  0.21859688  0.02591868  1
  C  C87  1  0.25646821  0.28139925  0.47408370  1
  C  C88  1  0.24353184  0.78140245  0.97408031  1
  C  C89  1  0.74353380  0.71860163  0.52591662  1
  C  C90  1  0.74854556  0.23984592  0.82012216  1
  C  C91  1  0.24854616  0.26014921  0.67988025  1
  C  C92  1  0.25145318  0.76015553  0.17987751  1
  C  C93  1  0.75145398  0.73984764  0.32011917  1
  C  C94  1  0.99044391  0.29183871  0.97725505  1
  C  C95  1  0.49044318  0.20815951  0.52274596  1
  C  C96  1  0.00955712  0.70816097  0.02274309  1
  C  C97  1  0.50955792  0.79183993  0.47725491  1
  N  N98  1  0.88390923  0.17496433  0.96197900  1
  N  N99  1  0.38390786  0.32503261  0.53802325  1
  N  N100  1  0.11609148  0.82503544  0.03801913  1
  N  N101  1  0.61609307  0.67496702  0.46197838  1
  N  N102  1  0.17644503  0.13172565  0.01368789  1
  N  N103  1  0.67644455  0.36827214  0.48631003  1
  N  N104  1  0.82355576  0.86827455  0.98631130  1
  N  N105  1  0.32355601  0.63172866  0.51369234  1
  N  N106  1  0.62547444  0.28895936  0.88853771  1
  N  N107  1  0.12547511  0.21103320  0.61146407  1
  N  N108  1  0.37452519  0.71104120  0.11146189  1
  N  N109  1  0.87452461  0.78896690  0.38853485  1
  O  O110  1  0.05351281  0.90168183  0.84955730  1
  O  O111  1  0.55352541  0.59830630  0.65043912  1
  O  O112  1  0.94648507  0.09831931  0.15044254  1
  O  O113  1  0.44647397  0.40169371  0.34956323  1
  O  O114  1  0.03742025  0.97841479  0.66226846  1
  O  O115  1  0.53741881  0.52157282  0.83772617  1
  O  O116  1  0.96258076  0.02158672  0.33773152  1
  O  O117  1  0.46258159  0.47843106  0.16227863  1
  O  O118  1  0.92342918  0.42272584  0.62195180  1
  O  O119  1  0.42343278  0.07726067  0.87805487  1
  O  O120  1  0.07657028  0.57727324  0.37805195  1
  O  O121  1  0.57656364  0.92274308  0.12194110  1
  O  O122  1  0.04720788  0.69156610  0.66471998  1
  O  O123  1  0.54721084  0.80842280  0.83527606  1
  O  O124  1  0.95278579  0.30843578  0.33527829  1
  O  O125  1  0.45278572  0.19158056  0.16472680  1
  O  O126  1  0.29672643  0.85591711  0.71620246  1
  O  O127  1  0.79673042  0.64407426  0.78380143  1
  O  O128  1  0.70327071  0.14407731  0.28379872  1
  O  O129  1  0.20326740  0.35592905  0.21620062  1
  O  O130  1  0.06164860  0.51368888  0.80190413  1
  O  O131  1  0.56164419  0.98630513  0.69809815  1
  O  O132  1  0.93835235  0.48631980  0.19809830  1
  O  O133  1  0.43835361  0.01368901  0.30189884  1
