# generated using pymatgen
data_Mn3Cr2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41307955
_cell_length_b   9.79042295
_cell_length_c   13.72123108
_cell_angle_alpha   103.60186893
_cell_angle_beta   90.00000972
_cell_angle_gamma   90.00012830
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Cr2H32C12(NO2)6
_chemical_formula_sum   'Mn6 Cr4 H64 C24 N12 O24'
_cell_volume   1229.05600539
_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  0.08867048  0.86221344  0.72834660  1
  Cr  Cr1  1  0.58867352  0.63778210  0.77165379  1
  Cr  Cr2  1  0.91132989  0.13778912  0.27165435  1
  Cr  Cr3  1  0.41132799  0.36221592  0.22834586  1
  Mn  Mn4  1  0.94365326  0.54273947  0.72761972  1
  Mn  Mn5  1  0.44365106  0.95725441  0.77238086  1
  Mn  Mn6  1  0.05635140  0.45726035  0.27237927  1
  Mn  Mn7  1  0.55635283  0.04274514  0.22761974  1
  Mn  Mn8  1  -0.00000094  1.00000066  1.00000041  1
  Mn  Mn9  1  0.49999919  0.49999863  0.50000018  1
  H  H10  1  0.18447058  0.19987827  0.08818735  1
  H  H11  1  0.68447329  0.30012356  0.41181222  1
  H  H12  1  0.81552817  0.80012285  0.91181326  1
  H  H13  1  0.31552607  0.69987558  0.58818734  1
  H  H14  1  0.27325745  0.10319121  0.98924651  1
  H  H15  1  0.77325974  0.39680892  0.51075330  1
  H  H16  1  0.72674102  0.89680919  0.01075423  1
  H  H17  1  0.22674000  0.60319057  0.48924602  1
  H  H18  1  0.56988662  0.37911598  0.86691312  1
  H  H19  1  0.06988929  0.12087869  0.63308676  1
  H  H20  1  0.43011038  0.62088384  0.13308780  1
  H  H21  1  0.93010825  0.87912162  0.36691240  1
  H  H22  1  0.46952285  0.16914132  0.90147150  1
  H  H23  1  -0.03047550  0.33085184  0.59853133  1
  H  H24  1  0.53047592  0.83085698  0.09853026  1
  H  H25  1  1.03047559  0.66914982  0.40146615  1
  H  H26  1  0.74671755  0.03701442  0.85691130  1
  H  H27  1  0.24671905  0.46298237  0.64309011  1
  H  H28  1  0.25328213  0.96298673  0.14308914  1
  H  H29  1  0.75328148  0.53701680  0.35690994  1
  H  H30  1  0.89723542  0.08856477  0.79647771  1
  H  H31  1  0.39723725  0.41143243  0.70352308  1
  H  H32  1  0.10276331  0.91143786  0.20352269  1
  H  H33  1  0.60276255  0.58856467  0.29647643  1
  H  H34  1  0.20151991  0.32821394  0.96489401  1
  H  H35  1  0.70152086  0.17178515  0.53510339  1
  H  H36  1  0.79847991  0.67178725  0.03510672  1
  H  H37  1  0.29847965  0.82821458  0.46489652  1
  H  H38  1  0.15973534  0.17599380  0.87178300  1
  H  H39  1  0.65973825  0.32400411  0.62821579  1
  H  H40  1  0.84026489  0.82400745  0.12821743  1
  H  H41  1  0.34026168  0.67599544  0.37178395  1
  H  H42  1  0.58346261  0.37765434  0.04267430  1
  H  H43  1  0.08346482  0.12234149  0.45732495  1
  H  H44  1  0.41653687  0.62234805  0.95732694  1
  H  H45  1  0.91653483  0.87765719  0.54267380  1
  H  H46  1  0.73878035  0.44326803  -0.00228546  1
  H  H47  1  0.23878304  0.05672992  0.50228528  1
  H  H48  1  0.26121823  0.55673385  1.00228493  1
  H  H49  1  0.76121584  0.94326892  0.49771477  1
  H  H50  1  0.79655655  0.27428710  0.09917634  1
  H  H51  1  0.29655717  0.22571279  0.40082393  1
  H  H52  1  0.20344385  0.72571574  0.90082410  1
  H  H53  1  0.70344329  0.77428556  0.59917564  1
  H  H54  1  0.68973969  0.14233101  0.02379966  1
  H  H55  1  0.18973968  0.35766655  0.47620193  1
  H  H56  1  0.31026015  0.85767196  0.97620145  1
  H  H57  1  0.81026056  0.64233175  0.52379717  1
  H  H58  1  0.79784807  0.32010869  0.80078277  1
  H  H59  1  0.29785283  0.17988524  0.69921515  1
  H  H60  1  0.20214917  0.67989334  0.19921803  1
  H  H61  1  0.70214606  0.82011183  0.30078348  1
  H  H62  1  0.67604286  0.18512787  0.74610952  1
  H  H63  1  0.17604810  0.31486274  0.75389208  1
  H  H64  1  0.32395518  0.81487355  0.25389120  1
  H  H65  1  0.82395185  0.68513461  0.24610773  1
  H  H66  1  0.96607412  0.42512500  0.10137149  1
  H  H67  1  0.46607450  0.07487434  0.39862831  1
  H  H68  1  0.03392767  0.57487318  0.89862574  1
  H  H69  1  0.53392627  0.92512687  0.60137372  1
  H  H70  1  0.96598836  0.37410159  0.92583667  1
  H  H71  1  0.46599041  0.12589727  0.57416251  1
  H  H72  1  0.03401172  0.62589885  0.07416111  1
  H  H73  1  0.53401019  0.87410111  0.42583802  1
  C  C74  1  0.81350102  0.12662006  0.85148812  1
  C  C75  1  0.31350268  0.37337690  0.64851280  1
  C  C76  1  0.18649769  0.87338157  0.14851231  1
  C  C77  1  0.68649693  0.62662101  0.35148691  1
  C  C78  1  0.13468382  0.23338508  0.94917429  1
  C  C79  1  0.63468590  0.26661428  0.55082430  1
  C  C80  1  0.86531509  0.76661605  0.05082624  1
  C  C81  1  0.36531410  0.73338480  0.44917546  1
  C  C82  1  0.67263954  0.34796748  0.99050444  1
  C  C83  1  0.17264132  0.15202967  0.50949558  1
  C  C84  1  0.32735924  0.65203472  0.00949616  1
  C  C85  1  0.82735778  0.84796922  0.49050375  1
  C  C86  1  0.75622029  0.23375844  0.02319308  1
  C  C87  1  0.25622126  0.26623977  0.47680744  1
  C  C88  1  0.24377949  0.76624434  0.97680756  1
  C  C89  1  0.74377882  0.73375867  0.52319209  1
  C  C90  1  0.72702710  0.23766933  0.81687211  1
  C  C91  1  0.22703082  0.26232533  0.68312762  1
  C  C92  1  0.27297054  0.76233218  0.18312872  1
  C  C93  1  0.77296829  0.73767292  0.31687151  1
  C  C94  1  0.98553773  0.27875841  0.95486744  1
  C  C95  1  0.48553897  0.22124126  0.54513170  1
  C  C96  1  0.01446220  0.72124241  0.04513213  1
  C  C97  1  0.51446076  0.77875863  0.45486773  1
  N  N98  1  0.87490697  0.18261677  0.95311527  1
  N  N99  1  0.37490824  0.31738153  0.54688522  1
  N  N100  1  0.12509197  0.81738522  0.04688490  1
  N  N101  1  0.62509181  0.68261615  0.45311448  1
  N  N102  1  0.17270019  0.14083861  0.01584189  1
  N  N103  1  0.67270220  0.35916221  0.48415772  1
  N  N104  1  0.82729832  0.85916212  0.98415836  1
  N  N105  1  0.32729714  0.64083695  0.51584180  1
  N  N106  1  0.61810877  0.29732996  0.88959572  1
  N  N107  1  0.11811160  0.20266606  0.61040417  1
  N  N108  1  0.38188882  0.70267078  0.11040517  1
  N  N109  1  0.88188679  0.79733402  0.38959493  1
  O  O110  1  0.05907469  0.90214143  0.85362203  1
  O  O111  1  0.55908034  0.59785651  0.64637816  1
  O  O112  1  0.94092320  0.09786080  0.14637905  1
  O  O113  1  0.44091883  0.40214137  0.35362148  1
  O  O114  1  0.00435609  0.97658072  0.67784492  1
  O  O115  1  0.50435370  0.52341560  0.82215324  1
  O  O116  1  0.99564218  0.02342006  0.32215558  1
  O  O117  1  0.49564366  0.47658631  0.17784728  1
  O  O118  1  0.89848678  0.40704544  0.60459731  1
  O  O119  1  0.39848491  0.09294638  0.89540375  1
  O  O120  1  0.10151521  0.59295667  0.39540054  1
  O  O121  1  0.60151509  0.90705076  0.10459807  1
  O  O122  1  0.03144685  0.69998523  0.67323586  1
  O  O123  1  0.53145492  0.80001209  0.82676390  1
  O  O124  1  0.96855730  0.30001595  0.32676492  1
  O  O125  1  0.46855290  0.19998863  0.17323533  1
  O  O126  1  0.26366785  0.86404955  0.70185308  1
  O  O127  1  0.76366971  0.63594030  0.79814984  1
  O  O128  1  0.73633255  0.13595645  0.29814901  1
  O  O129  1  0.23633154  0.36405182  0.20184891  1
  O  O130  1  0.03874077  0.49363459  0.84146872  1
  O  O131  1  0.53873251  1.00636400  0.65853146  1
  O  O132  1  0.96126508  0.50636939  0.15853267  1
  O  O133  1  0.46127086  -0.00636613  0.34146633  1
