# generated using pymatgen
data_Mn2Cr2FeH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40873924
_cell_length_b   9.77888159
_cell_length_c   13.70853393
_cell_angle_alpha   103.55065362
_cell_angle_beta   90.00000725
_cell_angle_gamma   90.00013171
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Cr2FeH32C12(NO2)6
_chemical_formula_sum   'Mn4 Cr4 Fe2 H64 C24 N12 O24'
_cell_volume   1226.17029150
_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  0.08924041  0.86495612  0.73091848  1
  Cr  Cr1  1  0.58923993  0.63503840  0.76908311  1
  Cr  Cr2  1  0.91076028  0.13504515  0.26908418  1
  Cr  Cr3  1  0.41075911  0.36496052  0.23091581  1
  Mn  Mn4  1  0.94581365  0.54172518  0.72644196  1
  Mn  Mn5  1  0.44581857  0.95827651  0.77355853  1
  Mn  Mn6  1  0.05417939  0.45828715  0.27355732  1
  Mn  Mn7  1  0.55417868  0.04171435  0.22644177  1
  Fe  Fe8  1  -0.00000071  1.00000097  0.99999987  1
  Fe  Fe9  1  0.49999953  0.50000091  0.50000035  1
  H  H10  1  0.18618864  0.20206007  0.08968574  1
  H  H11  1  0.68618895  0.29793728  0.41030975  1
  H  H12  1  0.81380990  0.79794254  0.91031396  1
  H  H13  1  0.31381084  0.70206224  0.58969087  1
  H  H14  1  0.27577868  0.10531376  0.99169331  1
  H  H15  1  0.77577723  0.39469334  0.50829772  1
  H  H16  1  0.72421903  0.89468383  0.00830782  1
  H  H17  1  0.22422024  0.60531175  0.49170014  1
  H  H18  1  0.57121721  0.37964190  0.86751042  1
  H  H19  1  0.07122014  0.12035451  0.63248926  1
  H  H20  1  0.42878201  0.62035877  0.13248947  1
  H  H21  1  0.92877992  0.87964616  0.36751112  1
  H  H22  1  0.47289795  0.16813357  0.90381757  1
  H  H23  1  -0.02708575  0.33186872  0.59620747  1
  H  H24  1  0.52710626  0.83186169  0.09617235  1
  H  H25  1  1.02710048  0.66814137  0.40381488  1
  H  H26  1  0.74787541  0.03638141  0.85733088  1
  H  H27  1  0.24787780  0.46361764  0.64267107  1
  H  H28  1  0.25212431  0.96361881  0.14266780  1
  H  H29  1  0.75212284  0.53638342  0.35733021  1
  H  H30  1  0.89819184  0.08857335  0.79691605  1
  H  H31  1  0.39819319  0.41142327  0.70308523  1
  H  H32  1  0.10180725  0.91142629  0.20308234  1
  H  H33  1  0.60180677  0.58857664  0.29691569  1
  H  H34  1  0.20247828  0.32894135  0.96559685  1
  H  H35  1  0.70247915  0.17106081  0.53440272  1
  H  H36  1  0.79752212  0.67105769  0.03440142  1
  H  H37  1  0.29752121  0.82893927  0.46559683  1
  H  H38  1  0.16116678  0.17603911  0.87296357  1
  H  H39  1  0.66117441  0.32396584  0.62703371  1
  H  H40  1  0.83883321  0.82395955  0.12703551  1
  H  H41  1  0.33882600  0.67603414  0.37296642  1
  H  H42  1  0.58337397  0.37589233  0.04343973  1
  H  H43  1  0.08337678  0.12410368  0.45656038  1
  H  H44  1  0.41662588  0.62410557  0.95655972  1
  H  H45  1  0.91662307  0.87589860  0.54344040  1
  H  H46  1  0.73868625  0.44310821  -0.00047189  1
  H  H47  1  0.23868984  0.05689137  0.50047301  1
  H  H48  1  0.26131320  0.55689112  1.00047212  1
  H  H49  1  0.76130934  0.94311039  0.49952753  1
  H  H50  1  0.79705553  0.27329213  0.10016418  1
  H  H51  1  0.29705693  0.22670798  0.39983614  1
  H  H52  1  0.20294525  0.72670617  0.89983371  1
  H  H53  1  0.70294284  0.77329343  0.60016506  1
  H  H54  1  0.69050784  0.14123682  0.02458155  1
  H  H55  1  0.19050892  0.35876161  0.47541978  1
  H  H56  1  0.30949234  0.85876173  0.97541678  1
  H  H57  1  0.80949123  0.64123969  0.52458085  1
  H  H58  1  0.79965115  0.32071616  0.80226664  1
  H  H59  1  0.29965375  0.17928028  0.69773117  1
  H  H60  1  0.20034757  0.67928459  0.19773189  1
  H  H61  1  0.70034610  0.82071974  0.30226941  1
  H  H62  1  0.67813225  0.18645030  0.74642933  1
  H  H63  1  0.17813640  0.31354130  0.75357167  1
  H  H64  1  0.32186671  0.81355109  0.25356931  1
  H  H65  1  0.82186386  0.68645731  0.24642931  1
  H  H66  1  0.96604649  0.42532704  0.10270517  1
  H  H67  1  0.46604649  0.07467291  0.39730276  1
  H  H68  1  0.03394699  0.57466745  0.89727388  1
  H  H69  1  0.53394908  0.92532707  0.60270545  1
  H  H70  1  0.96679855  0.37414276  0.92740462  1
  H  H71  1  0.46680596  0.12585970  0.57259901  1
  H  H72  1  0.03320086  0.62585690  0.07259658  1
  H  H73  1  0.53319450  0.87413992  0.42740096  1
  C  C74  1  0.81446069  0.12633204  0.85204582  1
  C  C75  1  0.31446224  0.37366604  0.64795496  1
  C  C76  1  0.18553873  0.87366776  0.14795222  1
  C  C77  1  0.68553787  0.62633436  0.35204609  1
  C  C78  1  0.13613808  0.23365951  0.95041864  1
  C  C79  1  0.63614176  0.26634422  0.54957999  1
  C  C80  1  0.86386249  0.76633979  0.04958051  1
  C  C81  1  0.36385908  0.73365633  0.45042012  1
  C  C82  1  0.67298964  0.34725958  0.99151201  1
  C  C83  1  0.17299200  0.15273836  0.50848833  1
  C  C84  1  0.32701025  0.65273932  0.00848737  1
  C  C85  1  0.82700798  0.84726353  0.49151262  1
  C  C86  1  0.75685675  0.23294490  0.02408224  1
  C  C87  1  0.25685877  0.26705363  0.47591850  1
  C  C88  1  0.24314314  0.76705328  0.97591597  1
  C  C89  1  0.74314122  0.73294783  0.52408277  1
  C  C90  1  0.72841028  0.23803672  0.81773831  1
  C  C91  1  0.22841283  0.26195990  0.68226109  1
  C  C92  1  0.27158910  0.76196360  0.18226062  1
  C  C93  1  0.77158759  0.73804054  0.31773938  1
  C  C94  1  0.98667937  0.27836429  0.95597786  1
  C  C95  1  0.48668285  0.22163869  0.54402299  1
  C  C96  1  0.01332103  0.72163518  0.04402128  1
  C  C97  1  0.51331727  0.77836183  0.45597757  1
  N  N98  1  0.87601774  0.18195184  0.95396388  1
  N  N99  1  0.37601975  0.31804764  0.54603756  1
  N  N100  1  0.12398229  0.81804622  0.04603434  1
  N  N101  1  0.62398096  0.68195390  0.45396361  1
  N  N102  1  0.17474426  0.14217949  0.01763062  1
  N  N103  1  0.67474632  0.35782080  0.48236451  1
  N  N104  1  0.82525522  0.85782147  0.98236965  1
  N  N105  1  0.32525388  0.64218014  0.51763562  1
  N  N106  1  0.61907891  0.29752609  0.89022291  1
  N  N107  1  0.11908182  0.20247141  0.60977735  1
  N  N108  1  0.38092126  0.70247446  0.10977649  1
  N  N109  1  0.88091918  0.79752968  0.39022372  1
  O  O110  1  0.05968724  0.90519070  0.85624538  1
  O  O111  1  0.55969265  0.59480471  0.64375555  1
  O  O112  1  0.94031435  0.09481298  0.14375626  1
  O  O113  1  0.44030971  0.40519256  0.35624418  1
  O  O114  1  0.00382801  0.97832810  0.67970711  1
  O  O115  1  0.50382516  0.52166627  0.82029301  1
  O  O116  1  0.99617275  0.02166791  0.32029161  1
  O  O117  1  0.49617326  0.47833699  0.17970847  1
  O  O118  1  0.90334647  0.40933121  0.60142445  1
  O  O119  1  0.40334772  0.09065463  0.89858554  1
  O  O120  1  0.09665217  0.59066380  0.39858399  1
  O  O121  1  0.59664978  0.90934719  0.10141104  1
  O  O122  1  0.03459149  0.70154354  0.67597154  1
  O  O123  1  0.53460183  0.79845303  0.82402935  1
  O  O124  1  0.96541145  0.29845617  0.32403254  1
  O  O125  1  0.46540522  0.20154830  0.17596903  1
  O  O126  1  0.26396801  0.86889544  0.70436872  1
  O  O127  1  0.76396567  0.63109275  0.79563790  1
  O  O128  1  0.73603116  0.13109958  0.29562955  1
  O  O129  1  0.23603103  0.36890899  0.20436742  1
  O  O130  1  0.03969856  0.49222812  0.84094410  1
  O  O131  1  0.53969152  1.00776544  0.65904496  1
  O  O132  1  0.96030150  0.50776566  0.15904368  1
  O  O133  1  0.46030797  -0.00776072  0.34096072  1
