# generated using pymatgen
data_Cr3H27C36N4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.82156338
_cell_length_b   17.82163983
_cell_length_c   26.53149670
_cell_angle_alpha   90.00010807
_cell_angle_beta   90.00054425
_cell_angle_gamma   120.00019581
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3H27C36N4O9
_chemical_formula_sum   'Cr12 H108 C144 N16 O36'
_cell_volume   7297.68287269
_cell_formula_units_Z   4
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  0.13051695  0.00021042  0.54159196  1
  Cr  Cr1  1  0.99978892  0.13029625  0.54159449  1
  Cr  Cr2  1  0.86969785  0.86948291  0.54159227  1
  Cr  Cr3  1  0.86970034  0.00021076  0.04159671  1
  Cr  Cr4  1  0.99978981  0.86949122  0.04159835  1
  Cr  Cr5  1  0.13050877  0.13030190  0.04159752  1
  Cr  Cr6  1  0.00021067  0.13051149  0.95840097  1
  Cr  Cr7  1  0.13030426  0.99979171  0.95840153  1
  Cr  Cr8  1  0.86948853  0.86970138  0.95840020  1
  Cr  Cr9  1  0.00021022  0.86969247  0.45840218  1
  Cr  Cr10  1  0.86948959  0.99978855  0.45839919  1
  Cr  Cr11  1  0.13030332  0.13050945  0.45839982  1
  H  H12  1  0.00052352  0.85308897  0.55675625  1
  H  H13  1  0.14691722  0.14743393  0.55675163  1
  H  H14  1  0.85256346  0.99947333  0.55675153  1
  H  H15  1  0.00052188  0.14743876  0.05675516  1
  H  H16  1  0.85256634  0.85309110  0.05675872  1
  H  H17  1  0.14690516  0.99947290  0.05676178  1
  H  H18  1  0.85308864  0.00052118  0.94323958  1
  H  H19  1  0.14744037  0.14691446  0.94324394  1
  H  H20  1  0.99947654  0.85256669  0.94324017  1
  H  H21  1  0.14742924  0.00051737  0.44323507  1
  H  H22  1  0.85309078  0.85256561  0.44323594  1
  H  H23  1  0.99947799  0.14691019  0.44323935  1
  H  H24  1  0.11028962  0.70750567  0.44642807  1
  H  H25  1  0.29249421  0.40277830  0.44643452  1
  H  H26  1  0.59721915  0.88970909  0.44642733  1
  H  H27  1  0.88994331  0.29304034  0.94650053  1
  H  H28  1  0.70695763  0.59689309  0.94649813  1
  H  H29  1  0.40309546  0.11006364  0.94650570  1
  H  H30  1  0.70751884  0.11029191  0.05357213  1
  H  H31  1  0.40278587  0.29249128  0.05358088  1
  H  H32  1  0.88970570  0.59723669  0.05357603  1
  H  H33  1  0.29303898  0.88993511  0.55350266  1
  H  H34  1  0.59690079  0.70696402  0.55349831  1
  H  H35  1  0.11005967  0.40309754  0.55349985  1
  H  H36  1  0.88971622  0.29248908  0.55356140  1
  H  H37  1  0.70751109  0.59721867  0.55356387  1
  H  H38  1  0.40277926  0.11028802  0.55356276  1
  H  H39  1  0.11006847  0.70696446  0.05351383  1
  H  H40  1  0.29303868  0.40310005  0.05351263  1
  H  H41  1  0.59689646  0.88993635  0.05351718  1
  H  H42  1  0.29248218  0.88970439  0.94643590  1
  H  H43  1  0.59722894  0.70751541  0.94644487  1
  H  H44  1  0.11028579  0.40277276  0.94644082  1
  H  H45  1  0.70695506  0.11005603  0.44649492  1
  H  H46  1  0.40310805  0.29304324  0.44649177  1
  H  H47  1  0.88992976  0.59688977  0.44648927  1
  H  H48  1  0.18902617  0.62581259  0.44739592  1
  H  H49  1  0.37419000  0.56322031  0.44739551  1
  H  H50  1  0.43677373  0.81096030  0.44739126  1
  H  H51  1  0.81077711  0.37430386  0.94746588  1
  H  H52  1  0.62570084  0.43646630  0.94745878  1
  H  H53  1  0.56352620  0.18921589  0.94747390  1
  H  H54  1  0.62581783  0.18902898  0.05260585  1
  H  H55  1  0.56322960  0.37417825  0.05262101  1
  H  H56  1  0.81096717  0.43678488  0.05260934  1
  H  H57  1  0.37429568  0.81076671  0.55253963  1
  H  H58  1  0.43647227  0.62569628  0.55253556  1
  H  H59  1  0.18922518  0.56353036  0.55253552  1
  H  H60  1  0.81097007  0.37418040  0.55260419  1
  H  H61  1  0.62582225  0.43678038  0.55260704  1
  H  H62  1  0.56321015  0.18902250  0.55260140  1
  H  H63  1  0.18923050  0.62569610  0.05254624  1
  H  H64  1  0.37431200  0.56352940  0.05254048  1
  H  H65  1  0.43646610  0.81075985  0.05255273  1
  H  H66  1  0.37417500  0.81095457  0.94739357  1
  H  H67  1  0.43679211  0.62580620  0.94741235  1
  H  H68  1  0.18903602  0.56321390  0.94739813  1
  H  H69  1  0.62568713  0.18921816  0.44746547  1
  H  H70  1  0.56353640  0.37430139  0.44746160  1
  H  H71  1  0.81077106  0.43646377  0.44746060  1
  H  H72  1  0.08578293  0.86383443  0.62054588  1
  H  H73  1  0.13616569  0.22193564  0.62054954  1
  H  H74  1  0.77805559  0.91422404  0.62054495  1
  H  H75  1  0.91384933  0.13571823  0.12040144  1
  H  H76  1  0.86428779  0.77813426  0.12040162  1
  H  H77  1  0.22186860  0.08616592  0.12039892  1
  H  H78  1  0.86382967  0.08578678  0.87944778  1
  H  H79  1  0.22195285  0.13617779  0.87944661  1
  H  H80  1  0.91420685  0.77804350  0.87944821  1
  H  H81  1  0.13571452  0.91384175  0.37960148  1
  H  H82  1  0.77813033  0.86428924  0.37959620  1
  H  H83  1  0.08615972  0.22186952  0.37959971  1
  H  H84  1  0.91422754  0.13617368  0.37944803  1
  H  H85  1  0.86382617  0.77804742  0.37944911  1
  H  H86  1  0.22194447  0.08577021  0.37944500  1
  H  H87  1  0.08616733  0.86430306  0.87959667  1
  H  H88  1  0.13570815  0.22187638  0.87959849  1
  H  H89  1  0.77812224  0.91383553  0.87959457  1
  H  H90  1  0.13617134  0.91422802  0.12055385  1
  H  H91  1  0.77805157  0.86383519  0.12054885  1
  H  H92  1  0.08577156  0.22195120  0.12055226  1
  H  H93  1  0.86428618  0.08615416  0.62039614  1
  H  H94  1  0.22186946  0.13571630  0.62039286  1
  H  H95  1  0.91384903  0.77813654  0.62039640  1
  H  H96  1  0.08616473  0.85947771  0.71287232  1
  H  H97  1  0.14052633  0.22668004  0.71287660  1
  H  H98  1  0.77330875  0.91383863  0.71287129  1
  H  H99  1  0.91350299  0.14038486  0.21272388  1
  H  H100  1  0.85961927  0.77311862  0.21272378  1
  H  H101  1  0.22688711  0.08651117  0.21272068  1
  H  H102  1  0.85946633  0.08616168  0.78712007  1
  H  H103  1  0.22669087  0.14053951  0.78711747  1
  H  H104  1  0.91382511  0.77329700  0.78712073  1
  H  H105  1  0.14038199  0.91350102  0.28728009  1
  H  H106  1  0.77312218  0.85962110  0.28727432  1
  H  H107  1  0.08649733  0.22688115  0.28727732  1
  H  H108  1  0.91384507  0.14053234  0.28712189  1
  H  H109  1  0.85946931  0.77330980  0.28712379  1
  H  H110  1  0.22667773  0.08615036  0.28711884  1
  H  H111  1  0.08650254  0.85962788  0.78727277  1
  H  H112  1  0.14037851  0.22688968  0.78727490  1
  H  H113  1  0.77310868  0.91349229  0.78727152  1
  H  H114  1  0.14052966  0.91384476  0.21288030  1
  H  H115  1  0.77330801  0.85947436  0.21287447  1
  H  H116  1  0.08615877  0.22669347  0.21287804  1
  H  H117  1  0.85961345  0.08649771  0.71271992  1
  H  H118  1  0.22688201  0.14038921  0.71271633  1
  H  H119  1  0.91350318  0.77312111  0.71271943  1
  C  C120  1  0.14833630  0.85267285  0.49984656  1
  C  C121  1  0.14732910  0.29565997  0.49985015  1
  C  C122  1  0.70433747  0.85166418  0.49984465  1
  C  C123  1  0.85268327  0.14834113  0.00015496  1
  C  C124  1  0.85165157  0.70433948  0.00015827  1
  C  C125  1  0.29566336  0.14733700  0.00015461  1
  C  C126  1  0.85166256  0.14732119  0.50014505  1
  C  C127  1  0.85267128  0.70433300  0.50014381  1
  C  C128  1  0.29566357  0.14833524  0.50014133  1
  C  C129  1  0.14732719  0.85166324  0.99985729  1
  C  C130  1  0.14833211  0.29565841  0.99985947  1
  C  C131  1  0.70434109  0.85269411  0.99985071  1
  C  C132  1  0.19613125  0.80442628  0.49990990  1
  C  C133  1  0.19557340  0.39170276  0.49991309  1
  C  C134  1  0.60829422  0.80386781  0.49990764  1
  C  C135  1  0.80443548  0.19613519  0.00009139  1
  C  C136  1  0.80386099  0.60829707  0.00009421  1
  C  C137  1  0.39170641  0.19557763  0.00009609  1
  C  C138  1  0.80386565  0.19556664  0.50008304  1
  C  C139  1  0.80442557  0.60829053  0.50008247  1
  C  C140  1  0.39170567  0.19613291  0.50008122  1
  C  C141  1  0.19557228  0.80386577  0.99992039  1
  C  C142  1  0.19613091  0.39170088  0.99992178  1
  C  C143  1  0.60829887  0.80443836  0.99992093  1
  C  C144  1  0.16771531  0.72952393  0.47002172  1
  C  C145  1  0.27047609  0.43818857  0.47002545  1
  C  C146  1  0.56180739  0.83228313  0.47001930  1
  C  C147  1  0.83254201  0.27090263  0.97013391  1
  C  C148  1  0.72909671  0.56163371  0.97013346  1
  C  C149  1  0.43836326  0.16746493  0.97013945  1
  C  C150  1  0.72953337  0.16771807  0.02997984  1
  C  C151  1  0.43819599  0.27047674  0.02998725  1
  C  C152  1  0.83228036  0.56181491  0.02998367  1
  C  C153  1  0.27089837  0.83253355  0.52986878  1
  C  C154  1  0.56163602  0.72910135  0.52986524  1
  C  C155  1  0.16746352  0.43836274  0.52986824  1
  C  C156  1  0.83228564  0.27046916  0.52997160  1
  C  C157  1  0.72952650  0.56180632  0.52997324  1
  C  C158  1  0.43818866  0.16771527  0.52997091  1
  C  C159  1  0.16746712  0.72909842  0.02987859  1
  C  C160  1  0.27090142  0.43836315  0.02987789  1
  C  C161  1  0.56163453  0.83253702  0.02988188  1
  C  C162  1  0.27046965  0.83227849  0.97002823  1
  C  C163  1  0.56181664  0.72953112  0.97003558  1
  C  C164  1  0.16771540  0.43818581  0.97003103  1
  C  C165  1  0.72909453  0.16745839  0.47012818  1
  C  C166  1  0.43836866  0.27090265  0.47012601  1
  C  C167  1  0.83253232  0.56162954  0.47012552  1
  C  C168  1  0.21136860  0.68329955  0.47093220  1
  C  C169  1  0.31670193  0.52806862  0.47093219  1
  C  C170  1  0.47192805  0.78862828  0.47092853  1
  C  C171  1  0.78865580  0.31689674  0.97104123  1
  C  C172  1  0.68310494  0.47175099  0.97103804  1
  C  C173  1  0.52824293  0.21134398  0.97104690  1
  C  C174  1  0.68330651  0.21136939  0.02907042  1
  C  C175  1  0.52807465  0.31669604  0.02907995  1
  C  C176  1  0.78863253  0.47193762  0.02907336  1
  C  C177  1  0.31689156  0.78864662  0.52896320  1
  C  C178  1  0.47175450  0.68310371  0.52896007  1
  C  C179  1  0.21134742  0.52824315  0.52896107  1
  C  C180  1  0.78863182  0.31669406  0.52906646  1
  C  C181  1  0.68330499  0.47192772  0.52906806  1
  C  C182  1  0.52806745  0.21136720  0.52906482  1
  C  C183  1  0.21135203  0.68310287  0.02896993  1
  C  C184  1  0.31690009  0.52824317  0.02896749  1
  C  C185  1  0.47175405  0.78864473  0.02897481  1
  C  C186  1  0.31669342  0.78862406  0.97093350  1
  C  C187  1  0.47193872  0.68329900  0.97094502  1
  C  C188  1  0.21137107  0.52806406  0.97093708  1
  C  C189  1  0.68309884  0.21134237  0.47103786  1
  C  C190  1  0.52824890  0.31689464  0.47103588  1
  C  C191  1  0.78864835  0.47174791  0.47103490  1
  C  C192  1  0.28702531  0.71304015  0.49991079  1
  C  C193  1  0.28695612  0.57398114  0.49990970  1
  C  C194  1  0.42601607  0.71297360  0.49990832  1
  C  C195  1  0.71304803  0.28702723  0.00009308  1
  C  C196  1  0.71297725  0.42601884  0.00009317  1
  C  C197  1  0.57398456  0.28695278  0.00009814  1
  C  C198  1  0.71297258  0.28695107  0.50008961  1
  C  C199  1  0.71304382  0.42601140  0.50008909  1
  C  C200  1  0.57398613  0.28702512  0.50008881  1
  C  C201  1  0.28695611  0.71297076  0.99991495  1
  C  C202  1  0.28702878  0.57397982  0.99991532  1
  C  C203  1  0.42601943  0.71303960  0.99991986  1
  C  C204  1  0.15290912  0.99995722  0.72221782  1
  C  C205  1  0.00004642  0.15295306  0.72222063  1
  C  C206  1  0.84704074  0.84709108  0.72221889  1
  C  C207  1  0.84704548  0.99995267  0.22222111  1
  C  C208  1  0.00005080  0.84709621  0.22222517  1
  C  C209  1  0.15290301  0.15295898  0.22222138  1
  C  C210  1  0.99994531  0.15290654  0.77777568  1
  C  C211  1  0.15296078  0.00006078  0.77777214  1
  C  C212  1  0.84708695  0.84703746  0.77777365  1
  C  C213  1  0.99994892  0.84704377  0.27777889  1
  C  C214  1  0.84709622  0.00005321  0.27777507  1
  C  C215  1  0.15295331  0.15290524  0.27777521  1
  C  C216  1  0.11217873  0.92392735  0.64211812  1
  C  C217  1  0.07607447  0.18824352  0.64212119  1
  C  C218  1  0.81174873  0.88782626  0.64211745  1
  C  C219  1  0.88753985  0.07571246  0.14205427  1
  C  C220  1  0.92429305  0.81183074  0.14205600  1
  C  C221  1  0.18817011  0.11247155  0.14205316  1
  C  C222  1  0.92392013  0.11217941  0.85787539  1
  C  C223  1  0.18825778  0.07608709  0.85787263  1
  C  C224  1  0.88781488  0.81174085  0.85787461  1
  C  C225  1  0.07570846  0.88753428  0.35794739  1
  C  C226  1  0.81182874  0.92429513  0.35794283  1
  C  C227  1  0.11246577  0.18817170  0.35794490  1
  C  C228  1  0.88783056  0.07608176  0.35787572  1
  C  C229  1  0.92391970  0.81174537  0.35787804  1
  C  C230  1  0.18824873  0.11216828  0.35787394  1
  C  C231  1  0.11247358  0.92430474  0.85794132  1
  C  C232  1  0.07570410  0.18817814  0.85794383  1
  C  C233  1  0.81181914  0.88752826  0.85794086  1
  C  C234  1  0.07607873  0.88783105  0.14212595  1
  C  C235  1  0.81174938  0.92392630  0.14212092  1
  C  C236  1  0.11216817  0.18825499  0.14212280  1
  C  C237  1  0.92428989  0.11246136  0.64205142  1
  C  C238  1  0.18817482  0.07571288  0.64204836  1
  C  C239  1  0.88753734  0.81182978  0.64205080  1
  C  C240  1  0.11447835  0.92232979  0.69418147  1
  C  C241  1  0.07767376  0.19214345  0.69418451  1
  C  C242  1  0.80784786  0.88552474  0.69418096  1
  C  C243  1  0.88531575  0.07748059  0.19411091  1
  C  C244  1  0.92252415  0.80783781  0.19411355  1
  C  C245  1  0.19216434  0.11469362  0.19410995  1
  C  C246  1  0.92231849  0.11447601  0.80581258  1
  C  C247  1  0.19215483  0.07768692  0.80580931  1
  C  C248  1  0.88551530  0.80784000  0.80581139  1
  C  C249  1  0.07747709  0.88531312  0.30589019  1
  C  C250  1  0.80783754  0.92252591  0.30588576  1
  C  C251  1  0.11468600  0.19216414  0.30588756  1
  C  C252  1  0.88552967  0.07768024  0.30581288  1
  C  C253  1  0.92232155  0.80784753  0.30581500  1
  C  C254  1  0.19214519  0.11446896  0.30581106  1
  C  C255  1  0.11469244  0.92253451  0.80588258  1
  C  C256  1  0.07747379  0.19216896  0.80588652  1
  C  C257  1  0.80782726  0.88530592  0.80588369  1
  C  C258  1  0.07767703  0.88553008  0.19418879  1
  C  C259  1  0.80784915  0.92232611  0.19418377  1
  C  C260  1  0.11447014  0.19215421  0.19418546  1
  C  C261  1  0.92251875  0.11468431  0.69410879  1
  C  C262  1  0.19216548  0.07748365  0.69410634  1
  C  C263  1  0.88531320  0.80783620  0.69410823  1
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