# generated using pymatgen
data_Mn4CrH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36598471
_cell_length_b   9.72024261
_cell_length_c   13.66132112
_cell_angle_alpha   103.38995080
_cell_angle_beta   90.00002487
_cell_angle_gamma   90.00012568
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4CrH32C12(NO2)6
_chemical_formula_sum   'Mn8 Cr2 H64 C24 N12 O24'
_cell_volume   1209.91310745
_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  0.09723314  0.85693988  0.73200175  1
  Mn  Mn1  1  0.59723915  0.64303747  0.76799687  1
  Mn  Mn2  1  0.90276824  0.14306130  0.26799257  1
  Mn  Mn3  1  0.40275917  0.35696996  0.23200314  1
  Mn  Mn4  1  0.95387634  0.55878958  0.71894696  1
  Mn  Mn5  1  0.45387554  0.94119499  0.78105337  1
  Mn  Mn6  1  0.04612481  0.44121028  0.28105371  1
  Mn  Mn7  1  0.54612415  0.05880655  0.21894460  1
  Cr  Cr8  1  -0.00000025  1.00001078  0.99999728  1
  Cr  Cr9  1  0.50000563  0.50000366  0.50000003  1
  H  H10  1  0.18470020  0.19793004  0.09545177  1
  H  H11  1  0.68468826  0.30206269  0.40454297  1
  H  H12  1  0.81530412  0.80206554  0.90455795  1
  H  H13  1  0.31531468  0.69794180  0.59545583  1
  H  H14  1  0.27420192  0.10102962  0.99730019  1
  H  H15  1  0.77419383  0.39896750  0.50268808  1
  H  H16  1  0.72581497  0.89897363  0.00269948  1
  H  H17  1  0.22581156  0.60103244  0.49731321  1
  H  H18  1  0.52706127  0.46131032  0.87198933  1
  H  H19  1  0.02707095  0.03868425  0.62799273  1
  H  H20  1  0.47294388  0.53869077  0.12801800  1
  H  H21  1  0.97293098  0.96131641  0.37200740  1
  H  H22  1  0.54117008  0.22385457  0.89313977  1
  H  H23  1  0.04117070  0.27613845  0.60684923  1
  H  H24  1  0.45882718  0.77614388  0.10685627  1
  H  H25  1  0.95882909  0.72386311  0.39315125  1
  H  H26  1  0.77257516  0.03717993  0.85115276  1
  H  H27  1  0.27257337  0.46281980  0.64885037  1
  H  H28  1  0.22742446  0.96282000  0.14884676  1
  H  H29  1  0.72742683  0.53717923  0.35115118  1
  H  H30  1  0.92240583  0.11414287  0.80672694  1
  H  H31  1  0.42240074  0.38585322  0.69327632  1
  H  H32  1  0.07759399  0.88585602  0.19327149  1
  H  H33  1  0.57759971  0.61414560  0.30672438  1
  H  H34  1  0.21597384  0.33019006  0.96857381  1
  H  H35  1  0.71597404  0.16981241  0.53142281  1
  H  H36  1  0.78402493  0.66981568  0.03141464  1
  H  H37  1  0.28402607  0.83018710  0.46857948  1
  H  H38  1  0.15311271  0.18155677  0.87849215  1
  H  H39  1  0.65311512  0.31844536  0.62150652  1
  H  H40  1  0.84688880  0.81844329  0.12152807  1
  H  H41  1  0.34688581  0.68155426  0.37848959  1
  H  H42  1  0.58648475  0.38921462  0.06339329  1
  H  H43  1  0.08649526  0.11075334  0.43659777  1
  H  H44  1  0.41351231  0.61077494  0.93660536  1
  H  H45  1  0.91350471  0.88924742  0.56340180  1
  H  H46  1  0.74742452  0.43417304  0.00039017  1
  H  H47  1  0.24745121  0.06583185  0.49961567  1
  H  H48  1  0.25256660  0.56582705  0.99961383  1
  H  H49  1  0.75254780  0.93416907  0.50038333  1
  H  H50  1  0.79575169  0.26520038  0.10728090  1
  H  H51  1  0.29575837  0.23480564  0.39271816  1
  H  H52  1  0.20424734  0.73479638  0.89271712  1
  H  H53  1  0.70424275  0.76519813  0.60728240  1
  H  H54  1  0.68902868  0.13530066  0.02820146  1
  H  H55  1  0.18902775  0.36469542  0.47179752  1
  H  H56  1  0.31097276  0.86469460  0.97179642  1
  H  H57  1  0.81097391  0.63530731  0.52820394  1
  H  H58  1  0.79768650  0.33587215  0.81526554  1
  H  H59  1  0.29767763  0.16412299  0.68473420  1
  H  H60  1  0.20231248  0.66412790  0.18473372  1
  H  H61  1  0.70232092  0.83587508  0.31526537  1
  H  H62  1  0.68935904  0.19240016  0.75313963  1
  H  H63  1  0.18934891  0.30759440  0.74685837  1
  H  H64  1  0.31064167  0.80760112  0.24685907  1
  H  H65  1  0.81065081  0.69240334  0.25314192  1
  H  H66  1  0.98272795  0.35986979  0.05569031  1
  H  H67  1  0.48272608  0.14013319  0.44431127  1
  H  H68  1  0.01727149  0.64012826  0.94430500  1
  H  H69  1  0.51727521  0.85986916  0.55569027  1
  H  H70  1  0.96827086  0.36625741  0.92476903  1
  H  H71  1  0.46827189  0.13374489  0.57523202  1
  H  H72  1  0.03172355  0.63374749  0.07522823  1
  H  H73  1  0.53172889  0.86625416  0.42476782  1
  C  C74  1  0.83170072  0.13636940  0.85807139  1
  C  C75  1  0.33169804  0.36362902  0.64192963  1
  C  C76  1  0.16829900  0.86363049  0.14192602  1
  C  C77  1  0.66830235  0.63636989  0.35807159  1
  C  C78  1  0.14092086  0.24091529  0.95660554  1
  C  C79  1  0.64091944  0.25908470  0.54339153  1
  C  C80  1  0.85909566  0.75906840  0.04339665  1
  C  C81  1  0.35908512  0.74092072  0.45660915  1
  C  C82  1  0.67618818  0.34404729  0.99862780  1
  C  C83  1  0.17619937  0.15594386  0.50136935  1
  C  C84  1  0.32380790  0.65594839  0.00137239  1
  C  C85  1  0.82379965  0.84405741  0.49862996  1
  C  C86  1  0.75829050  0.22690778  0.03031322  1
  C  C87  1  0.25829311  0.27309373  0.46968521  1
  C  C88  1  0.24171090  0.77308969  0.96968439  1
  C  C89  1  0.74170891  0.72690895  0.53031574  1
  C  C90  1  0.73468954  0.24511694  0.82618611  1
  C  C91  1  0.23468632  0.25488138  0.67381307  1
  C  C92  1  0.26530969  0.75488354  0.17381341  1
  C  C93  1  0.76531328  0.74511748  0.32618741  1
  C  C94  1  0.99039978  0.29787484  0.97710551  1
  C  C95  1  0.49039924  0.20212866  0.52289565  1
  C  C96  1  0.00960050  0.70213071  0.02289238  1
  C  C97  1  0.50960105  0.79787147  0.47710555  1
  N  N98  1  0.88303379  0.18104946  0.96362386  1
  N  N99  1  0.38303443  0.31895413  0.53637850  1
  N  N100  1  0.11696834  0.81895366  0.03637484  1
  N  N101  1  0.61696651  0.68104574  0.46362262  1
  N  N102  1  0.17630659  0.14351080  0.02124449  1
  N  N103  1  0.67630619  0.35649215  0.47874923  1
  N  N104  1  0.82366485  0.85647885  0.97874009  1
  N  N105  1  0.32369013  0.64351280  0.52125473  1
  N  N106  1  0.62017820  0.29944439  0.89774852  1
  N  N107  1  0.12018207  0.20054978  0.60224637  1
  N  N108  1  0.37982029  0.70055469  0.10225075  1
  N  N109  1  0.87981793  0.79945131  0.39775370  1
  O  O110  1  0.04891673  0.94187181  0.87190920  1
  O  O111  1  0.54892106  0.55811431  0.62808566  1
  O  O112  1  0.95107434  0.05813949  0.12809467  1
  O  O113  1  0.45106146  0.44186592  0.37192180  1
  O  O114  1  -0.01693070  0.95045899  0.63931943  1
  O  O115  1  0.48304601  0.54953186  0.86066376  1
  O  O116  1  1.01692925  0.04954169  0.36067774  1
  O  O117  1  0.51696552  0.45047329  0.13934665  1
  O  O118  1  0.90322723  0.41646323  0.63270122  1
  O  O119  1  0.40322922  0.08351428  0.86730381  1
  O  O120  1  0.09677671  0.58353402  0.36729920  1
  O  O121  1  0.59676956  0.91649204  0.13269210  1
  O  O122  1  0.06212390  0.65566189  0.65968365  1
  O  O123  1  0.56211809  0.84432179  0.84031676  1
  O  O124  1  0.93787331  0.34433610  0.34031352  1
  O  O125  1  0.43788172  0.15568374  0.15968299  1
  O  O126  1  0.31036430  0.83409742  0.73420484  1
  O  O127  1  0.81036931  0.66589898  0.76578438  1
  O  O128  1  0.68963561  0.16590319  0.26579808  1
  O  O129  1  0.18962662  0.33409271  0.23421514  1
  O  O130  1  0.03954703  0.51800716  0.81528499  1
  O  O131  1  0.53955872  0.98198758  0.68472488  1
  O  O132  1  0.96045796  0.48199848  0.18471628  1
  O  O133  1  0.46043737  0.01800800  0.31527042  1
