# generated using pymatgen
data_MnV2Cr2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36295153
_cell_length_b   9.72060778
_cell_length_c   13.68484459
_cell_angle_alpha   103.34083163
_cell_angle_beta   90.00001419
_cell_angle_gamma   90.00012854
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2Cr2H32C12(NO2)6
_chemical_formula_sum   'Mn2 V4 Cr4 H64 C24 N12 O24'
_cell_volume   1211.89629547
_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
  V  V0  1  0.10438131  0.85986609  0.72826079  1
  V  V1  1  0.60438489  0.64012601  0.77173889  1
  V  V2  1  0.89561929  0.14013325  0.27174010  1
  V  V3  1  0.39561417  0.35987407  0.22826164  1
  Cr  Cr4  1  0.95484441  0.55126036  0.72066143  1
  Cr  Cr5  1  0.45484494  0.94873078  0.77934103  1
  Cr  Cr6  1  0.04515460  0.44874271  0.27933972  1
  Cr  Cr7  1  0.54515487  0.05126857  0.22065771  1
  Mn  Mn8  1  -0.00000085  0.99999970  1.00000062  1
  Mn  Mn9  1  0.50000022  0.50000002  0.50000095  1
  H  H10  1  0.19939732  0.19733127  0.08828107  1
  H  H11  1  0.69939100  0.30266893  0.41171571  1
  H  H12  1  0.80060322  0.80267184  0.91172278  1
  H  H13  1  0.30060916  0.69733275  0.58828445  1
  H  H14  1  0.28671554  0.10696436  0.98629488  1
  H  H15  1  0.78671257  0.39303622  0.51369998  1
  H  H16  1  0.71328436  0.89303411  0.01370429  1
  H  H17  1  0.21328700  0.60696623  0.48630299  1
  H  H18  1  0.57687587  0.38031770  0.86693449  1
  H  H19  1  0.07687835  0.11967072  0.63306645  1
  H  H20  1  0.42312358  0.61968337  0.13306592  1
  H  H21  1  0.92312175  0.88033251  0.36693303  1
  H  H22  1  0.54424633  0.21132376  0.88454759  1
  H  H23  1  0.04424553  0.28866478  0.61545597  1
  H  H24  1  0.45575174  0.78867716  0.11545155  1
  H  H25  1  0.95575378  0.71133830  0.38454275  1
  H  H26  1  0.77688295  0.03501325  0.84862732  1
  H  H27  1  0.27688248  0.46498178  0.65137527  1
  H  H28  1  0.22311659  0.96498720  0.15137097  1
  H  H29  1  0.72311960  0.53501802  0.34862703  1
  H  H30  1  0.92906099  0.11103639  0.80590991  1
  H  H31  1  0.42906083  0.38896091  0.69409200  1
  H  H32  1  0.07093795  0.88896448  0.19408826  1
  H  H33  1  0.57093967  0.61103515  0.30590973  1
  H  H34  1  0.21243949  0.33458809  0.96425788  1
  H  H35  1  0.71244132  0.16541286  0.53573824  1
  H  H36  1  0.78756146  0.66540976  0.03574099  1
  H  H37  1  0.28756003  0.83458740  0.46426177  1
  H  H38  1  0.15062457  0.18491976  0.87477034  1
  H  H39  1  0.65063223  0.31508027  0.62522736  1
  H  H40  1  0.84937636  0.81507814  0.12522757  1
  H  H41  1  0.34937001  0.68491820  0.37477433  1
  H  H42  1  0.57678179  0.36736736  0.04389507  1
  H  H43  1  0.07678459  0.13262096  0.45610746  1
  H  H44  1  0.42321740  0.63263061  0.95610526  1
  H  H45  1  0.92321643  0.86738178  0.54389081  1
  H  H46  1  0.73508156  0.43541961  0.00067037  1
  H  H47  1  0.23508817  0.06457580  0.49933156  1
  H  H48  1  0.26491684  0.56457987  0.99932963  1
  H  H49  1  0.76491053  0.93542616  0.50066781  1
  H  H50  1  0.79076706  0.26202396  0.10355431  1
  H  H51  1  0.29076467  0.23797491  0.39644752  1
  H  H52  1  0.20923370  0.73797438  0.89644442  1
  H  H53  1  0.70923812  0.76202765  0.60355268  1
  H  H54  1  0.68916836  0.12968329  0.02148360  1
  H  H55  1  0.18916458  0.37031165  0.47851997  1
  H  H56  1  0.31083253  0.87031561  0.97851502  1
  H  H57  1  0.81083921  0.62969126  0.52148031  1
  H  H58  1  0.80441244  0.33583067  0.81316725  1
  H  H59  1  0.30441584  0.16416468  0.68683554  1
  H  H60  1  0.19558561  0.66417051  0.18683262  1
  H  H61  1  0.69558071  0.83583214  0.31316162  1
  H  H62  1  0.69943654  0.19217031  0.74559822  1
  H  H63  1  0.19943760  0.30782379  0.75440309  1
  H  H64  1  0.30056191  0.80783074  0.25440125  1
  H  H65  1  0.80056144  0.69217273  0.24559682  1
  H  H66  1  0.98254963  0.35556471  0.05522757  1
  H  H67  1  0.48254785  0.14443386  0.44477431  1
  H  H68  1  0.01745109  0.64443591  0.94477165  1
  H  H69  1  0.51745341  0.85556656  0.55522638  1
  H  H70  1  0.96881827  0.36919112  0.92688371  1
  H  H71  1  0.46882181  0.13080864  0.57311940  1
  H  H72  1  0.03118200  0.63080826  0.07311457  1
  H  H73  1  0.53117797  0.86919092  0.42688097  1
  C  C74  1  0.83591039  0.13446598  0.85519723  1
  C  C75  1  0.33591006  0.36552957  0.64480496  1
  C  C76  1  0.16408894  0.86553447  0.14480120  1
  C  C77  1  0.66409048  0.63446919  0.35519642  1
  C  C78  1  0.14165471  0.24195287  0.95361074  1
  C  C79  1  0.64165517  0.25804712  0.54638771  1
  C  C80  1  0.85834696  0.75804679  0.04638953  1
  C  C81  1  0.35834601  0.74195267  0.45361312  1
  C  C82  1  0.67053351  0.33977709  0.99537619  1
  C  C83  1  0.17053612  0.16021637  0.50462590  1
  C  C84  1  0.32946556  0.66022186  0.00462353  1
  C  C85  1  0.82946429  0.83978588  0.49537309  1
  C  C86  1  0.75569891  0.22383759  0.02580572  1
  C  C87  1  0.25569732  0.27615920  0.47419669  1
  C  C88  1  0.24430205  0.77616146  0.97419313  1
  C  C89  1  0.74430483  0.72384269  0.52580355  1
  C  C90  1  0.74347065  0.24178463  0.81951576  1
  C  C91  1  0.24347258  0.25820953  0.68048673  1
  C  C92  1  0.25652759  0.75821640  0.18048381  1
  C  C93  1  0.75652649  0.74178939  0.31951232  1
  C  C94  1  0.99031241  0.29674447  0.97647397  1
  C  C95  1  0.49031244  0.20325360  0.52352755  1
  C  C96  1  0.00968831  0.70325390  0.02352342  1
  C  C97  1  0.50968852  0.79674655  0.47647351  1
  N  N98  1  0.88178977  0.18226315  0.96095183  1
  N  N99  1  0.38178854  0.31773411  0.53904991  1
  N  N100  1  0.11821060  0.81773692  0.03904630  1
  N  N101  1  0.61821282  0.68226637  0.46095126  1
  N  N102  1  0.18827258  0.14386197  0.01451857  1
  N  N103  1  0.68826949  0.35613744  0.48547807  1
  N  N104  1  0.81172559  0.85613755  0.98548062  1
  N  N105  1  0.31172906  0.64386366  0.51452418  1
  N  N106  1  0.62241239  0.29184845  0.88945143  1
  N  N107  1  0.12241408  0.20814248  0.61055100  1
  N  N108  1  0.37758633  0.70815178  0.11054860  1
  N  N109  1  0.87758501  0.79186021  0.38944776  1
  O  O110  1  0.05459596  0.90621709  0.85123532  1
  O  O111  1  0.55459889  0.59378180  0.64876419  1
  O  O112  1  0.94540316  0.09378147  0.14876531  1
  O  O113  1  0.44540139  0.40621464  0.35123619  1
  O  O114  1  0.04049512  0.97904697  0.66684085  1
  O  O115  1  0.54049707  0.52094408  0.83315671  1
  O  O116  1  0.95950981  0.02095509  0.33316209  1
  O  O117  1  0.45950344  0.47905924  0.16684695  1
  O  O118  1  0.92414548  0.41591066  0.62204143  1
  O  O119  1  0.42415155  0.08407957  0.87796327  1
  O  O120  1  0.07585075  0.58408864  0.37796235  1
  O  O121  1  0.57584310  0.91592343  0.12203332  1
  O  O122  1  0.03890494  0.69024150  0.66774827  1
  O  O123  1  0.53890786  0.80974845  0.83225313  1
  O  O124  1  0.96108962  0.30976091  0.33225033  1
  O  O125  1  0.46109219  0.19025208  0.16774667  1
  O  O126  1  0.29468787  0.84931592  0.71773386  1
  O  O127  1  0.79469120  0.65068032  0.78227062  1
  O  O128  1  0.70531404  0.15067477  0.28226828  1
  O  O129  1  0.20530765  0.34931840  0.21773121  1
  O  O130  1  0.05431628  0.51381851  0.81051660  1
  O  O131  1  0.55431121  0.98617794  0.68948499  1
  O  O132  1  0.94568637  0.48618599  0.18948278  1
  O  O133  1  0.44568766  0.01381976  0.31051276  1
