# generated using pymatgen
data_Mn2V3H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36495553
_cell_length_b   9.71403203
_cell_length_c   13.66551923
_cell_angle_alpha   103.36288876
_cell_angle_beta   90.00001947
_cell_angle_gamma   90.00013019
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2V3H32C12(NO2)6
_chemical_formula_sum   'Mn4 V6 H64 C24 N12 O24'
_cell_volume   1209.51455727
_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  0.10562094  0.86991799  0.72911246  1
  Mn  Mn1  1  0.60562097  0.63007533  0.77088830  1
  Mn  Mn2  1  0.89437541  0.13008008  0.27088796  1
  Mn  Mn3  1  0.39437875  0.36992488  0.22911382  1
  V  V4  1  0.95956966  0.56728149  0.71923117  1
  V  V5  1  0.45957067  0.93271219  0.78076952  1
  V  V6  1  0.04043016  0.43272274  0.28076899  1
  V  V7  1  0.54042664  0.06728583  0.21922910  1
  V  V8  1  0.00000021  1.00000033  0.99999932  1
  V  V9  1  0.50000006  0.49999979  0.50000096  1
  H  H10  1  0.19655419  0.19785097  0.09106517  1
  H  H11  1  0.69654853  0.30214792  0.40893158  1
  H  H12  1  0.80344634  0.80215037  0.90893409  1
  H  H13  1  0.30345330  0.69785329  0.59107072  1
  H  H14  1  0.27814141  0.10161331  0.98902773  1
  H  H15  1  0.77814019  0.39838591  0.51096719  1
  H  H16  1  0.72185949  0.89838723  0.01097187  1
  H  H17  1  0.22185961  0.60161521  0.48903576  1
  H  H18  1  0.52908972  0.44408267  0.84948046  1
  H  H19  1  0.02909074  0.05590615  0.65051690  1
  H  H20  1  0.47090897  0.55591985  0.15052249  1
  H  H21  1  0.97090856  0.94409319  0.34948166  1
  H  H22  1  0.54680359  0.21851961  0.88500183  1
  H  H23  1  0.04680335  0.28147301  0.61499998  1
  H  H24  1  0.45319572  0.78148116  0.11499757  1
  H  H25  1  0.95319717  0.71852811  0.38500064  1
  H  H26  1  0.77824519  0.03293290  0.85056297  1
  H  H27  1  0.27824428  0.46706411  0.64943845  1
  H  H28  1  0.22175404  0.96706784  0.14943555  1
  H  H29  1  0.72175638  0.53293429  0.35056338  1
  H  H30  1  0.92875625  0.10923384  0.80635990  1
  H  H31  1  0.42875671  0.39076426  0.69364076  1
  H  H32  1  0.07124283  0.89076703  0.19363848  1
  H  H33  1  0.57124301  0.60923323  0.30636121  1
  H  H34  1  0.21624075  0.33214694  0.96616658  1
  H  H35  1  0.71624023  0.16785333  0.53383051  1
  H  H36  1  0.78375974  0.66785288  0.03383160  1
  H  H37  1  0.28376058  0.83214647  0.46617051  1
  H  H38  1  0.15194155  0.18480631  0.87590982  1
  H  H39  1  0.65194430  0.31519386  0.62408763  1
  H  H40  1  0.84805968  0.81519215  0.12408880  1
  H  H41  1  0.34805646  0.68480512  0.37591375  1
  H  H42  1  0.58515118  0.36510494  0.04798978  1
  H  H43  1  0.08515301  0.13489102  0.45200997  1
  H  H44  1  0.41484868  0.63489341  0.95201048  1
  H  H45  1  0.91484569  0.86511292  0.54798951  1
  H  H46  1  0.74172770  0.43113086  0.00323640  1
  H  H47  1  0.24173087  0.06886739  0.49676406  1
  H  H48  1  0.25827150  0.56886905  0.99676405  1
  H  H49  1  0.75826653  0.93113299  0.50323372  1
  H  H50  1  0.79423963  0.25914606  0.10561530  1
  H  H51  1  0.29423752  0.24085333  0.39438532  1
  H  H52  1  0.20576190  0.74085189  0.89438334  1
  H  H53  1  0.70576475  0.75914821  0.60561597  1
  H  H54  1  0.69239028  0.12729976  0.02395460  1
  H  H55  1  0.19238861  0.37269850  0.47604691  1
  H  H56  1  0.30761084  0.87269901  0.97604444  1
  H  H57  1  0.80761435  0.62730332  0.52395364  1
  H  H58  1  0.80650441  0.32892759  0.81034836  1
  H  H59  1  0.30650731  0.17106883  0.68965173  1
  H  H60  1  0.19349453  0.67107423  0.18965163  1
  H  H61  1  0.69349246  0.82892698  0.31034650  1
  H  H62  1  0.69856655  0.18395121  0.74941228  1
  H  H63  1  0.19856832  0.31604437  0.75058841  1
  H  H64  1  0.30143231  0.81605151  0.25058749  1
  H  H65  1  0.80143247  0.68395092  0.24941211  1
  H  H66  1  0.98280114  0.35867337  0.05647028  1
  H  H67  1  0.48279799  0.14132472  0.44352962  1
  H  H68  1  0.01720081  0.64132424  0.94352733  1
  H  H69  1  0.51720367  0.85867753  0.55647215  1
  H  H70  1  0.96631722  0.36736103  0.92615351  1
  H  H71  1  0.46631787  0.13263971  0.57384706  1
  H  H72  1  0.03368287  0.63264003  0.07384550  1
  H  H73  1  0.53368294  0.86735810  0.42615313  1
  C  C74  1  0.83738289  0.13200562  0.85687325  1
  C  C75  1  0.33738284  0.36799260  0.64312755  1
  C  C76  1  0.16261612  0.86799533  0.14312565  1
  C  C77  1  0.66261703  0.63200579  0.35687386  1
  C  C78  1  0.14182739  0.24247873  0.95462820  1
  C  C79  1  0.64182707  0.25752092  0.54536988  1
  C  C80  1  0.85817407  0.75752123  0.04537029  1
  C  C81  1  0.35817399  0.74247825  0.45463173  1
  C  C82  1  0.67445450  0.33631958  0.99499563  1
  C  C83  1  0.17445483  0.16367786  0.50500459  1
  C  C84  1  0.32554549  0.66367998  0.00500463  1
  C  C85  1  0.82554452  0.83632311  0.49499512  1
  C  C86  1  0.75908200  0.22116815  0.02783040  1
  C  C87  1  0.25908130  0.27883133  0.47217043  1
  C  C88  1  0.24091947  0.77883131  0.97216897  1
  C  C89  1  0.74092034  0.72116961  0.52783003  1
  C  C90  1  0.74190594  0.23935891  0.82250352  1
  C  C91  1  0.24190744  0.26063733  0.67749703  1
  C  C92  1  0.25809319  0.76064245  0.17749611  1
  C  C93  1  0.75809358  0.73935895  0.32250263  1
  C  C94  1  0.99121178  0.29792700  0.97732957  1
  C  C95  1  0.49121114  0.20207259  0.52266996  1
  C  C96  1  0.00878898  0.70207224  0.02266772  1
  C  C97  1  0.50878947  0.79792776  0.47733234  1
  N  N98  1  0.88570290  0.17891882  0.96267730  1
  N  N99  1  0.38570196  0.32107990  0.53732316  1
  N  N100  1  0.11429741  0.82108090  0.03732087  1
  N  N101  1  0.61429906  0.67891979  0.46267847  1
  N  N102  1  0.18106084  0.14359071  0.01733555  1
  N  N103  1  0.68105887  0.35640779  0.48266134  1
  N  N104  1  0.81894001  0.85640994  0.98266374  1
  N  N105  1  0.31894183  0.64359300  0.51734112  1
  N  N106  1  0.62554717  0.29473923  0.89110533  1
  N  N107  1  0.12554870  0.20525517  0.60889480  1
  N  N108  1  0.37445208  0.70526118  0.10889481  1
  N  N109  1  0.87445108  0.79474500  0.39110509  1
  O  O110  1  0.05249989  0.93833974  0.87276493  1
  O  O111  1  0.55250505  0.56165704  0.62723295  1
  O  O112  1  0.94750137  0.06166189  0.12723314  1
  O  O113  1  0.44749524  0.43834305  0.37276876  1
  O  O114  1  -0.02308039  0.97983417  0.67357939  1
  O  O115  1  0.47692041  0.52015395  0.82641691  1
  O  O116  1  1.02307764  0.02016497  0.32641859  1
  O  O117  1  0.52307850  0.47984773  0.17358529  1
  O  O118  1  0.91061649  0.42364148  0.62872496  1
  O  O119  1  0.41062108  0.07635103  0.87127779  1
  O  O120  1  0.08938352  0.57635769  0.37127938  1
  O  O121  1  0.58937750  0.92365006  0.12871897  1
  O  O122  1  0.06169325  0.68316849  0.66080635  1
  O  O123  1  0.56169641  0.81682461  0.83919136  1
  O  O124  1  0.93830105  0.31683388  0.33918827  1
  O  O125  1  0.43830307  0.18317730  0.16080943  1
  O  O126  1  0.30370161  0.83384673  0.72743040  1
  O  O127  1  0.80370286  0.66614545  0.77257378  1
  O  O128  1  0.69629626  0.16614706  0.27257284  1
  O  O129  1  0.19629645  0.33385723  0.22742644  1
  O  O130  1  0.05160531  0.51764134  0.81231158  1
  O  O131  1  0.55160066  0.98235507  0.68768777  1
  O  O132  1  0.94839872  0.48237398  0.18769137  1
  O  O133  1  0.44839259  0.01763614  0.31230621  1
