# generated using pymatgen
data_Mn2Cr3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37419259
_cell_length_b   9.73218440
_cell_length_c   13.68599598
_cell_angle_alpha   103.40938191
_cell_angle_beta   90.00003152
_cell_angle_gamma   90.00013901
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Cr3H32C12(NO2)6
_chemical_formula_sum   'Mn4 Cr6 H64 C24 N12 O24'
_cell_volume   1214.55295232
_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
  Mn  Mn0  1  0.09428042  0.85627104  0.72961050  1
  Mn  Mn1  1  0.59429376  0.64372932  0.77037421  1
  Mn  Mn2  1  0.90572221  0.14373293  0.27038361  1
  Mn  Mn3  1  0.40570178  0.35626775  0.22962695  1
  Cr  Cr4  1  0.95349825  0.55353599  0.71961651  1
  Cr  Cr5  1  0.45349944  0.94645387  0.78038734  1
  Cr  Cr6  1  0.04650013  0.44646846  0.28038567  1
  Cr  Cr7  1  0.54650056  0.05354565  0.21961016  1
  Cr  Cr8  1  -0.00002073  0.99997133  1.00000214  1
  Cr  Cr9  1  0.50004364  0.50002155  0.49999229  1
  H  H10  1  0.18277623  0.19580725  0.09171447  1
  H  H11  1  0.68278790  0.30417400  0.40827597  1
  H  H12  1  0.81720876  0.80416674  0.90827906  1
  H  H13  1  0.31722850  0.69582626  0.59172033  1
  H  H14  1  0.27410595  0.09994366  0.99411644  1
  H  H15  1  0.77411904  0.40004868  0.50587404  1
  H  H16  1  0.72588831  0.90004670  0.00587997  1
  H  H17  1  0.22590463  0.59994956  0.49412653  1
  H  H18  1  0.52464867  0.46255965  0.88213914  1
  H  H19  1  0.02465634  0.03742537  0.61785709  1
  H  H20  1  0.47535320  0.53744442  0.11786370  1
  H  H21  1  0.97534334  0.96257620  0.38214275  1
  H  H22  1  0.54354564  0.22694034  0.89245765  1
  H  H23  1  0.04354438  0.27304793  0.60752852  1
  H  H24  1  0.45645137  0.77305940  0.10753897  1
  H  H25  1  0.95645602  0.72695267  0.39247185  1
  H  H26  1  0.77435026  0.03672958  0.84877585  1
  H  H27  1  0.27434623  0.46326101  0.65122026  1
  H  H28  1  0.22564240  0.96326772  0.15121751  1
  H  H29  1  0.72566056  0.53673406  0.34877837  1
  H  H30  1  0.92425226  0.11496941  0.80535705  1
  H  H31  1  0.42424186  0.38502358  0.69464244  1
  H  H32  1  0.07574537  0.88503099  0.19464195  1
  H  H33  1  0.57576003  0.61497267  0.30535766  1
  H  H34  1  0.21575304  0.33053263  0.96789911  1
  H  H35  1  0.71575796  0.16946448  0.53209984  1
  H  H36  1  0.78423369  0.66945540  0.03210293  1
  H  H37  1  0.28424462  0.83053988  0.46789825  1
  H  H38  1  0.15392921  0.18386549  0.87563471  1
  H  H39  1  0.65393470  0.31613440  0.62436325  1
  H  H40  1  0.84606490  0.81612357  0.12436756  1
  H  H41  1  0.34606878  0.68386804  0.37563573  1
  H  H42  1  0.58606378  0.39228127  0.06433468  1
  H  H43  1  0.08605298  0.10770118  0.43565805  1
  H  H44  1  0.41393872  0.60771358  0.93566377  1
  H  H45  1  0.91394682  0.89230057  0.56434045  1
  H  H46  1  0.75018447  0.43451204  0.00215800  1
  H  H47  1  0.25019177  0.06547934  0.49784153  1
  H  H48  1  0.24981310  0.56548604  0.99784231  1
  H  H49  1  0.74980650  0.93452009  0.50215797  1
  H  H50  1  0.79598641  0.26161432  0.10592948  1
  H  H51  1  0.29599256  0.23839092  0.39406772  1
  H  H52  1  0.20401166  0.73838549  0.89406815  1
  H  H53  1  0.70400868  0.76160978  0.60593449  1
  H  H54  1  0.68955342  0.13333480  0.02494218  1
  H  H55  1  0.18955232  0.36665295  0.47505824  1
  H  H56  1  0.31044027  0.86666318  0.97505799  1
  H  H57  1  0.81045526  0.63334899  0.52494486  1
  H  H58  1  0.80165793  0.33673050  0.81607462  1
  H  H59  1  0.30165147  0.16325959  0.68391939  1
  H  H60  1  0.19834022  0.66327045  0.18392442  1
  H  H61  1  0.69834527  0.83673688  0.31608095  1
  H  H62  1  0.69287107  0.19551338  0.75226184  1
  H  H63  1  0.19286124  0.30447284  0.74772649  1
  H  H64  1  0.30712539  0.80449005  0.24773487  1
  H  H65  1  0.80713862  0.69552582  0.25227339  1
  H  H66  1  0.98318254  0.35725339  0.05349645  1
  H  H67  1  0.48318434  0.14274037  0.44650357  1
  H  H68  1  0.01681168  0.64273492  0.94650022  1
  H  H69  1  0.51681899  0.85726140  0.55349611  1
  H  H70  1  0.96714178  0.36630373  0.92440867  1
  H  H71  1  0.46714473  0.13369222  0.57559353  1
  H  H72  1  0.03286338  0.63368604  0.07559012  1
  H  H73  1  0.53286329  0.86630414  0.42440484  1
  C  C74  1  0.83331951  0.13601938  0.85655596  1
  C  C75  1  0.33331405  0.36397030  0.64343947  1
  C  C76  1  0.16667503  0.86397777  0.14344033  1
  C  C77  1  0.66668813  0.63602388  0.35655961  1
  C  C78  1  0.14135689  0.24079083  0.95417479  1
  C  C79  1  0.64136136  0.25920356  0.54582415  1
  C  C80  1  0.85863575  0.75918964  0.04582782  1
  C  C81  1  0.35864275  0.74080092  0.45417406  1
  C  C82  1  0.68012065  0.34276106  0.99739974  1
  C  C83  1  0.18015058  0.15724758  0.50261087  1
  C  C84  1  0.31986889  0.65724328  0.00260438  1
  C  C85  1  0.81984933  0.84275291  0.49738915  1
  C  C86  1  0.75952301  0.22495098  0.02853972  1
  C  C87  1  0.25953502  0.27504895  0.47145923  1
  C  C88  1  0.24047096  0.77504761  0.97145868  1
  C  C89  1  0.74047110  0.72495188  0.52854423  1
  C  C90  1  0.73766024  0.24606497  0.82558311  1
  C  C91  1  0.23765381  0.25392433  0.67441046  1
  C  C92  1  0.26233769  0.75393588  0.17441466  1
  C  C93  1  0.76234668  0.74607423  0.32558919  1
  C  C94  1  0.99074975  0.29639771  0.97518806  1
  C  C95  1  0.49075358  0.20359653  0.52481222  1
  C  C96  1  0.00924336  0.70358788  0.02481000  1
  C  C97  1  0.50925066  0.79640501  0.47518755  1
  N  N98  1  0.88446038  0.17903507  0.96190944  1
  N  N99  1  0.38446857  0.32096076  0.53808908  1
  N  N100  1  0.11552459  0.82095932  0.03808602  1
  N  N101  1  0.61553521  0.67903408  0.46191395  1
  N  N102  1  0.17621903  0.14196643  0.01751885  1
  N  N103  1  0.67623191  0.35802609  0.48247088  1
  N  N104  1  0.82377139  0.85801317  0.98247672  1
  N  N105  1  0.32378913  0.64198579  0.51752482  1
  N  N106  1  0.62368831  0.30078934  0.89731806  1
  N  N107  1  0.12368835  0.19920217  0.60267874  1
  N  N108  1  0.37630874  0.69920978  0.10268204  1
  N  N109  1  0.87630987  0.80079811  0.39732129  1
  O  O110  1  0.04434152  0.92998750  0.87278512  1
  O  O111  1  0.54422303  0.57005817  0.62723101  1
  O  O112  1  0.95578582  0.07015087  0.12722186  1
  O  O113  1  0.45564747  0.42991465  0.37280336  1
  O  O114  1  -0.01370387  0.94790129  0.63048865  1
  O  O115  1  0.48630121  0.55207868  0.86948573  1
  O  O116  1  1.01370028  0.05210095  0.36951070  1
  O  O117  1  0.51370135  0.44793196  0.13052894  1
  O  O118  1  0.89603170  0.41242175  0.63687019  1
  O  O119  1  0.39604560  0.08756791  0.86313363  1
  O  O120  1  0.10396326  0.58758150  0.36313308  1
  O  O121  1  0.60395904  0.91243693  0.13685697  1
  O  O122  1  0.05761769  0.64795905  0.65827562  1
  O  O123  1  0.55761189  0.85202527  0.84172813  1
  O  O124  1  0.94237546  0.35204649  0.34172448  1
  O  O125  1  0.44239059  0.14797765  0.15827229  1
  O  O126  1  0.31482293  0.84516067  0.72399794  1
  O  O127  1  0.81482458  0.65483913  0.77600461  1
  O  O128  1  0.68517678  0.15483679  0.27600314  1
  O  O129  1  0.18517451  0.34517096  0.22400393  1
  O  O130  1  0.04824371  0.50402371  0.80597365  1
  O  O131  1  0.54825110  0.99596631  0.69403115  1
  O  O132  1  0.95176246  0.49598420  0.19402697  1
  O  O133  1  0.45174751  0.00402877  0.30596315  1
