# generated using pymatgen
data_Cr2Fe2NiH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36870524
_cell_length_b   9.72088321
_cell_length_c   13.67635874
_cell_angle_alpha   103.36654256
_cell_angle_beta   90.00000886
_cell_angle_gamma   90.00012274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Fe2NiH32C12(NO2)6
_chemical_formula_sum   'Cr4 Fe4 Ni2 H64 C24 N12 O24'
_cell_volume   1211.79432956
_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  0.09710419  0.85725258  0.72709168  1
  Cr  Cr1  1  0.59710682  0.64274093  0.77290718  1
  Cr  Cr2  1  0.90289343  0.14274714  0.27290805  1
  Cr  Cr3  1  0.40289143  0.35725963  0.22709333  1
  Fe  Fe4  1  0.94613096  0.55353070  0.72951316  1
  Fe  Fe5  1  0.44613002  0.94646213  0.77048763  1
  Fe  Fe6  1  0.05386694  0.44647115  0.27048822  1
  Fe  Fe7  1  0.55386682  0.05353644  0.22951131  1
  Ni  Ni8  1  -0.00000030  1.00000011  0.99999976  1
  Ni  Ni9  1  0.50000029  0.49999974  0.50000030  1
  H  H10  1  0.18842929  0.18755648  0.08739470  1
  H  H11  1  0.68842845  0.31244460  0.41260436  1
  H  H12  1  0.81157123  0.81244398  0.91260499  1
  H  H13  1  0.31157363  0.68755557  0.58739646  1
  H  H14  1  0.27480824  0.09374105  0.98762036  1
  H  H15  1  0.77480790  0.40625974  0.51237837  1
  H  H16  1  0.72519187  0.90625863  0.01237936  1
  H  H17  1  0.22519323  0.59374145  0.48762268  1
  H  H18  1  0.58543929  0.37778093  0.86756653  1
  H  H19  1  0.08544098  0.12221381  0.63243464  1
  H  H20  1  0.41456093  0.62222062  0.13243373  1
  H  H21  1  0.91455962  0.87778604  0.36756455  1
  H  H22  1  0.47881593  0.17015820  0.88802700  1
  H  H23  1  -0.02118547  0.32983343  0.61197558  1
  H  H24  1  0.52118287  0.82984374  0.11197034  1
  H  H25  1  1.02118573  0.67016538  0.38802756  1
  H  H26  1  0.76885016  0.02977900  0.85261750  1
  H  H27  1  0.26884992  0.47021769  0.64738502  1
  H  H28  1  0.23114951  0.97022339  0.14738067  1
  H  H29  1  0.73115086  0.52977906  0.35261771  1
  H  H30  1  0.92187550  0.09471287  0.80268523  1
  H  H31  1  0.42187616  0.40528457  0.69731702  1
  H  H32  1  0.07812540  0.90529003  0.19731458  1
  H  H33  1  0.57812610  0.59471146  0.30268306  1
  H  H34  1  0.20948715  0.32946429  0.97152645  1
  H  H35  1  0.70948692  0.17053418  0.52846990  1
  H  H36  1  0.79051297  0.67053491  0.02847266  1
  H  H37  1  0.29051473  0.82946674  0.47153107  1
  H  H38  1  0.16446308  0.18345037  0.87357109  1
  H  H39  1  0.66446501  0.31654673  0.62642689  1
  H  H40  1  0.83553692  0.81654949  0.12642839  1
  H  H41  1  0.33553564  0.68345361  0.37357368  1
  H  H42  1  0.58389648  0.36529747  0.04201102  1
  H  H43  1  0.08389713  0.13469850  0.45799075  1
  H  H44  1  0.41610248  0.63470179  0.95798935  1
  H  H45  1  0.91610202  0.86530426  0.54200827  1
  H  H46  1  0.74217074  0.43872416  0.00684296  1
  H  H47  1  0.24217320  0.06127366  0.49315840  1
  H  H48  1  0.25782837  0.56127600  0.99315817  1
  H  H49  1  0.75782559  0.93872693  0.50683974  1
  H  H50  1  0.79609765  0.26264726  0.10357270  1
  H  H51  1  0.29609583  0.23735301  0.39642903  1
  H  H52  1  0.20390230  0.73735239  0.89642742  1
  H  H53  1  0.70390515  0.76264824  0.60357091  1
  H  H54  1  0.69345257  0.13117465  0.02270583  1
  H  H55  1  0.19345110  0.36882369  0.47729764  1
  H  H56  1  0.30654735  0.86882489  0.97729417  1
  H  H57  1  0.80655044  0.63117794  0.52270215  1
  H  H58  1  0.81393125  0.31859479  0.80141382  1
  H  H59  1  0.31393298  0.18140148  0.69858774  1
  H  H60  1  0.18606944  0.68140975  0.19858875  1
  H  H61  1  0.68606903  0.81859145  0.30140713  1
  H  H62  1  0.69345041  0.18114049  0.74857247  1
  H  H63  1  0.19345191  0.31885489  0.75142932  1
  H  H64  1  0.30655200  0.81886567  0.25142715  1
  H  H65  1  0.80655362  0.68113569  0.24857123  1
  H  H66  1  0.96464962  0.41746941  0.10129831  1
  H  H67  1  0.46464911  0.08253261  0.39870079  1
  H  H68  1  0.03534922  0.58253116  0.89870164  1
  H  H69  1  0.53534902  0.91746773  0.60129933  1
  H  H70  1  0.96417973  0.37270401  0.93265544  1
  H  H71  1  0.46418086  0.12729532  0.56734574  1
  H  H72  1  0.03582096  0.62729659  0.06734546  1
  H  H73  1  0.53582075  0.87270376  0.43265269  1
  C  C74  1  0.83236986  0.12473620  0.85430979  1
  C  C75  1  0.33237064  0.37526096  0.64569246  1
  C  C76  1  0.16763026  0.87526642  0.14569008  1
  C  C77  1  0.66763105  0.62473603  0.35430800  1
  C  C78  1  0.14083652  0.23500228  0.95261000  1
  C  C79  1  0.64083664  0.26499627  0.54738817  1
  C  C80  1  0.85916364  0.76499738  0.04738963  1
  C  C81  1  0.35916433  0.73500429  0.45261234  1
  C  C82  1  0.67836093  0.34042343  0.99365428  1
  C  C83  1  0.17836173  0.15957353  0.50634740  1
  C  C84  1  0.32163841  0.65957678  0.00634615  1
  C  C85  1  0.82163765  0.84042754  0.49365165  1
  C  C86  1  0.76046579  0.22419857  0.02606821  1
  C  C87  1  0.26046515  0.27580032  0.47393404  1
  C  C88  1  0.23953371  0.77580141  0.97393181  1
  C  C89  1  0.73953536  0.72420056  0.52606576  1
  C  C90  1  0.74453146  0.23556137  0.81917438  1
  C  C91  1  0.24453294  0.26443467  0.68082750  1
  C  C92  1  0.25546949  0.76444219  0.18082641  1
  C  C93  1  0.75546979  0.73556039  0.31917113  1
  C  C94  1  0.99132531  0.28035639  0.96372718  1
  C  C95  1  0.49132485  0.21964323  0.53627347  1
  C  C96  1  0.00867515  0.71964438  0.03627365  1
  C  C97  1  0.50867668  0.78035544  0.46372478  1
  N  N98  1  0.88494878  0.17591859  0.95946256  1
  N  N99  1  0.38494867  0.32408037  0.54053919  1
  N  N100  1  0.11505104  0.82408209  0.04053730  1
  N  N101  1  0.61505212  0.67591896  0.45946096  1
  N  N102  1  0.17627310  0.13347611  0.01379122  1
  N  N103  1  0.67627283  0.36652400  0.48620779  1
  N  N104  1  0.82372739  0.86652412  0.98620840  1
  N  N105  1  0.32372874  0.63347626  0.51379283  1
  N  N106  1  0.63257648  0.29415048  0.89001248  1
  N  N107  1  0.13257774  0.20584534  0.60998943  1
  N  N108  1  0.36742364  0.70585083  0.10998800  1
  N  N109  1  0.86742303  0.79415470  0.39000963  1
  O  O110  1  0.05493523  0.90114286  0.84932439  1
  O  O111  1  0.55494189  0.59885270  0.65067396  1
  O  O112  1  0.94506262  0.09885704  0.15067549  1
  O  O113  1  0.44505711  0.40114749  0.34932656  1
  O  O114  1  0.02485352  0.96951272  0.66726893  1
  O  O115  1  0.52485141  0.53048156  0.83272861  1
  O  O116  1  0.97514717  0.03048941  0.33273151  1
  O  O117  1  0.47514778  0.46951883  0.16727210  1
  O  O118  1  0.89907142  0.39951858  0.62469274  1
  O  O119  1  0.39907324  0.10047249  0.87530970  1
  O  O120  1  0.10092808  0.60047921  0.37531089  1
  O  O121  1  0.60092548  0.89952965  0.12468732  1
  O  O122  1  0.04072768  0.68877639  0.67092358  1
  O  O123  1  0.54073243  0.81121806  0.82907519  1
  O  O124  1  0.95926536  0.31122534  0.32907554  1
  O  O125  1  0.45926389  0.18878222  0.17092535  1
  O  O126  1  0.27983262  0.84976860  0.70934883  1
  O  O127  1  0.77983410  0.65022285  0.79065425  1
  O  O128  1  0.72016521  0.15022618  0.29065166  1
  O  O129  1  0.22016387  0.34977997  0.20934676  1
  O  O130  1  0.04745286  0.50791304  0.83694284  1
  O  O131  1  0.54744848  0.99208549  0.66305844  1
  O  O132  1  0.95254621  0.49208829  0.16305733  1
  O  O133  1  0.45254710  0.00791509  0.33694106  1
