# generated using pymatgen
data_V2Cr2NiH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35226147
_cell_length_b   9.70153249
_cell_length_c   13.67108234
_cell_angle_alpha   103.30124415
_cell_angle_beta   90.00001672
_cell_angle_gamma   90.00012783
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Cr2NiH32C12(NO2)6
_chemical_formula_sum   'V4 Cr4 Ni2 H64 C24 N12 O24'
_cell_volume   1207.11966297
_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  0.10364808  0.86965898  0.72755992  1
  Cr  Cr1  1  0.60365175  0.63033056  0.77243771  1
  Cr  Cr2  1  0.89635077  0.13034168  0.27243941  1
  Cr  Cr3  1  0.39634729  0.36967290  0.22756608  1
  V  V4  1  0.95888022  0.56321466  0.71791327  1
  V  V5  1  0.45887924  0.93677582  0.78208969  1
  V  V6  1  0.04111836  0.43678770  0.28208839  1
  V  V7  1  0.54111755  0.06322335  0.21790986  1
  Ni  Ni8  1  0.00000004  1.00000029  0.99999908  1
  Ni  Ni9  1  0.50000032  0.50000004  0.50000084  1
  H  H10  1  0.18473431  0.18316970  0.08758129  1
  H  H11  1  0.68473207  0.31682642  0.41241652  1
  H  H12  1  0.81526767  0.81682971  0.91241754  1
  H  H13  1  0.31526809  0.68317428  0.58758552  1
  H  H14  1  0.27205267  0.08825767  0.98792893  1
  H  H15  1  0.77205384  0.41173774  0.51206711  1
  H  H16  1  0.72794745  0.91174068  0.01206919  1
  H  H17  1  0.22794697  0.58826271  0.48793467  1
  H  H18  1  0.57964660  0.37836510  0.86650303  1
  H  H19  1  0.07964912  0.12162526  0.63349823  1
  H  H20  1  0.42035290  0.62163617  0.13349796  1
  H  H21  1  0.92034860  0.87837504  0.36650011  1
  H  H22  1  0.54875203  0.20793878  0.88215248  1
  H  H23  1  0.04875126  0.29205187  0.61785004  1
  H  H24  1  0.45124689  0.79206207  0.11784699  1
  H  H25  1  0.95124931  0.70794969  0.38214955  1
  H  H26  1  0.77765320  0.03171729  0.84809803  1
  H  H27  1  0.27765264  0.46827793  0.65190450  1
  H  H28  1  0.22234578  0.96828326  0.15190014  1
  H  H29  1  0.72234834  0.53172063  0.34809797  1
  H  H30  1  0.93165266  0.10645159  0.80622433  1
  H  H31  1  0.43165255  0.39354414  0.69377772  1
  H  H32  1  0.06834590  0.89354948  0.19377338  1
  H  H33  1  0.56834786  0.60645184  0.30622414  1
  H  H34  1  0.21678687  0.32170798  0.96748534  1
  H  H35  1  0.71678563  0.17828857  0.53251297  1
  H  H36  1  0.78321423  0.67829091  0.03251246  1
  H  H37  1  0.28321589  0.82171145  0.46748814  1
  H  H38  1  0.14878965  0.18000040  0.87367236  1
  H  H39  1  0.64879151  0.31999811  0.62632594  1
  H  H40  1  0.85121073  0.81999770  0.12632627  1
  H  H41  1  0.35120929  0.68000126  0.37367573  1
  H  H42  1  0.57772618  0.36216761  0.04246701  1
  H  H43  1  0.07772607  0.13782486  0.45753435  1
  H  H44  1  0.42227488  0.63783170  0.95753289  1
  H  H45  1  0.92227450  0.86217776  0.54246419  1
  H  H46  1  0.73658730  0.43175647  0.00167424  1
  H  H47  1  0.23659052  0.06823965  0.49832796  1
  H  H48  1  0.26341298  0.56824331  0.99832542  1
  H  H49  1  0.76340894  0.93176062  0.50167086  1
  H  H50  1  0.79038674  0.25536094  0.10389705  1
  H  H51  1  0.29038434  0.24463692  0.39610498  1
  H  H52  1  0.20961522  0.74463759  0.89610191  1
  H  H53  1  0.70961850  0.75536507  0.60389611  1
  H  H54  1  0.68848031  0.12485290  0.02051354  1
  H  H55  1  0.18847848  0.37514289  0.47949004  1
  H  H56  1  0.31152096  0.87514600  0.97948534  1
  H  H57  1  0.81152433  0.62485870  0.52051062  1
  H  H58  1  0.81156236  0.33433894  0.81597558  1
  H  H59  1  0.31156385  0.16565719  0.68402732  1
  H  H60  1  0.18843622  0.66566289  0.18402424  1
  H  H61  1  0.68843457  0.83433747  0.31597012  1
  H  H62  1  0.70769798  0.19233994  0.74506045  1
  H  H63  1  0.20769818  0.30765462  0.75494153  1
  H  H64  1  0.29230039  0.80766287  0.25493863  1
  H  H65  1  0.79230198  0.69233936  0.24505857  1
  H  H66  1  0.98366605  0.34851989  0.05669761  1
  H  H67  1  0.48366327  0.15147721  0.44330362  1
  H  H68  1  0.01633493  0.65147946  0.94330022  1
  H  H69  1  0.51633835  0.84852348  0.55669736  1
  H  H70  1  0.96571421  0.36628859  0.92959270  1
  H  H71  1  0.46571539  0.13371014  0.57040924  1
  H  H72  1  0.03428729  0.63371087  0.07040541  1
  H  H73  1  0.53428569  0.86628881  0.42959115  1
  C  C74  1  0.83865771  0.13015812  0.85560539  1
  C  C75  1  0.33865761  0.36983784  0.64439681  1
  C  C76  1  0.16134145  0.86984271  0.14439260  1
  C  C77  1  0.66134303  0.63015959  0.35560474  1
  C  C78  1  0.13957698  0.23399106  0.95313987  1
  C  C79  1  0.63957767  0.26600659  0.54685886  1
  C  C80  1  0.86042382  0.76600836  0.04685861  1
  C  C81  1  0.36042341  0.73399296  0.45314265  1
  C  C82  1  0.67273618  0.33531747  0.99501948  1
  C  C83  1  0.17273720  0.16467724  0.50498254  1
  C  C84  1  0.32726343  0.66468217  0.00498033  1
  C  C85  1  0.82726281  0.83532430  0.49501641  1
  C  C86  1  0.75652338  0.21826191  0.02579379  1
  C  C87  1  0.25652234  0.28173436  0.47420833  1
  C  C88  1  0.24347756  0.78173761  0.97420497  1
  C  C89  1  0.74347978  0.71826661  0.52579203  1
  C  C90  1  0.74921906  0.24009562  0.82007388  1
  C  C91  1  0.24921932  0.25989927  0.67992802  1
  C  C92  1  0.25077967  0.75990594  0.17992499  1
  C  C93  1  0.75078033  0.74009768  0.32007146  1
  C  C94  1  0.99020860  0.29188892  0.97739538  1
  C  C95  1  0.49020849  0.20810885  0.52260544  1
  C  C96  1  0.00979260  0.70811044  0.02260255  1
  C  C97  1  0.50979260  0.79189095  0.47739575  1
  N  N98  1  0.88395139  0.17488346  0.96190052  1
  N  N99  1  0.38395006  0.32511344  0.53810178  1
  N  N100  1  0.11604914  0.82511633  0.03809741  1
  N  N101  1  0.61605089  0.67488651  0.46189973  1
  N  N102  1  0.17476405  0.13108107  0.01354509  1
  N  N103  1  0.67476384  0.36891572  0.48645244  1
  N  N104  1  0.82523682  0.86891839  0.98645379  1
  N  N105  1  0.32523644  0.63108457  0.51354943  1
  N  N106  1  0.62609692  0.28899866  0.88843256  1
  N  N107  1  0.12609788  0.21099409  0.61156955  1
  N  N108  1  0.37390259  0.71100196  0.11156713  1
  N  N109  1  0.87390189  0.78900589  0.38842952  1
  O  O110  1  0.05140976  0.90010123  0.84866143  1
  O  O111  1  0.55141994  0.59988826  0.65133451  1
  O  O112  1  0.94858868  0.09990036  0.15133896  1
  O  O113  1  0.44858069  0.40011269  0.34866838  1
  O  O114  1  0.03392153  0.98115221  0.66248503  1
  O  O115  1  0.53392115  0.51883535  0.83750977  1
  O  O116  1  0.96607878  0.01885038  0.33751503  1
  O  O117  1  0.46607933  0.48116827  0.16249490  1
  O  O118  1  0.92110815  0.42157941  0.62299839  1
  O  O119  1  0.42110951  0.07840746  0.87700773  1
  O  O120  1  0.07888992  0.57842035  0.37700574  1
  O  O121  1  0.57888755  0.92159544  0.12298802  1
  O  O122  1  0.05116118  0.69070728  0.66286586  1
  O  O123  1  0.55116308  0.80928097  0.83713329  1
  O  O124  1  0.94883216  0.30929388  0.33713219  1
  O  O125  1  0.44883367  0.19072248  0.16286958  1
  O  O126  1  0.29877544  0.85856046  0.71599690  1
  O  O127  1  0.79877976  0.64142961  0.78400532  1
  O  O128  1  0.70122204  0.14143395  0.28400447  1
  O  O129  1  0.20121877  0.35857348  0.21599718  1
  O  O130  1  0.06528494  0.51148712  0.80050892  1
  O  O131  1  0.56528179  0.98850763  0.69949288  1
  O  O132  1  0.93471642  0.48852130  0.19949392  1
  O  O133  1  0.43471595  0.01148581  0.30050402  1
