# generated using pymatgen
data_Mn2Cr2FeH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37483009
_cell_length_b   9.73148078
_cell_length_c   13.68781916
_cell_angle_alpha   103.38778801
_cell_angle_beta   90.00001214
_cell_angle_gamma   90.00014129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Cr2FeH32C12(NO2)6
_chemical_formula_sum   'Mn4 Cr4 Fe2 H64 C24 N12 O24'
_cell_volume   1214.81858711
_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  0.09393008  0.85428849  0.73020855  1
  Mn  Mn1  1  0.59393012  0.64570790  0.76982330  1
  Mn  Mn2  1  0.90608814  0.14572933  0.26981975  1
  Mn  Mn3  1  0.40607489  0.35428237  0.23021463  1
  Cr  Cr4  1  0.95289023  0.55403016  0.71891200  1
  Cr  Cr5  1  0.45289660  0.94595917  0.78106801  1
  Cr  Cr6  1  0.04710731  0.44597765  0.28106757  1
  Cr  Cr7  1  0.54711495  0.05403061  0.21890178  1
  Fe  Fe8  1  -0.00015581  1.00022272  0.99996607  1
  Fe  Fe9  1  0.50015739  0.50023523  0.49997132  1
  H  H10  1  0.18181036  0.19765968  0.09245752  1
  H  H11  1  0.68185922  0.30243047  0.40752397  1
  H  H12  1  0.81814878  0.80241720  0.90753556  1
  H  H13  1  0.31820147  0.69768395  0.59245557  1
  H  H14  1  0.27251341  0.09935210  0.99560981  1
  H  H15  1  0.77268559  0.40060318  0.50436361  1
  H  H16  1  0.72733825  0.90060351  0.00437334  1
  H  H17  1  0.22750724  0.59935889  0.49561470  1
  H  H18  1  0.52650127  0.46534926  0.88163143  1
  H  H19  1  0.02649493  0.03463812  0.61839313  1
  H  H20  1  0.47351131  0.53465243  0.11840531  1
  H  H21  1  0.97348821  0.96534945  0.38162535  1
  H  H22  1  0.54370598  0.22770918  0.89264659  1
  H  H23  1  0.04369859  0.27227496  0.60735168  1
  H  H24  1  0.45629576  0.77228596  0.10735123  1
  H  H25  1  0.95628288  0.72771977  0.39264712  1
  H  H26  1  0.77612870  0.03678424  0.84915696  1
  H  H27  1  0.27617137  0.46317025  0.65083231  1
  H  H28  1  0.22381975  0.96317989  0.15081787  1
  H  H29  1  0.72388174  0.53678964  0.34916513  1
  H  H30  1  0.92553680  0.11553690  0.80621585  1
  H  H31  1  0.42552796  0.38437144  0.69378882  1
  H  H32  1  0.07446317  0.88439118  0.19378033  1
  H  H33  1  0.57445676  0.61551220  0.30622023  1
  H  H34  1  0.21631545  0.32879744  0.96648596  1
  H  H35  1  0.71629697  0.17132331  0.53346632  1
  H  H36  1  0.78369910  0.67130044  0.03346600  1
  H  H37  1  0.28368150  0.82882281  0.46648877  1
  H  H38  1  0.15293895  0.18086950  0.87600776  1
  H  H39  1  0.65291293  0.31925911  0.62395770  1
  H  H40  1  0.84708397  0.81922014  0.12396866  1
  H  H41  1  0.34705106  0.68090571  0.37600256  1
  H  H42  1  0.58597715  0.39312548  0.06319265  1
  H  H43  1  0.08596987  0.10687348  0.43683187  1
  H  H44  1  0.41402637  0.60687983  0.93683677  1
  H  H45  1  0.91401958  0.89311459  0.56318244  1
  H  H46  1  0.75154988  0.43484901  0.00119382  1
  H  H47  1  0.25154114  0.06513359  0.49881670  1
  H  H48  1  0.24845816  0.56513527  0.99881681  1
  H  H49  1  0.74844482  0.93485371  0.50119609  1
  H  H50  1  0.79684722  0.26082804  0.10543905  1
  H  H51  1  0.29683436  0.23919186  0.39457897  1
  H  H52  1  0.20316143  0.73917213  0.89457196  1
  H  H53  1  0.70314462  0.76083870  0.60544290  1
  H  H54  1  0.69052969  0.13345926  0.02434553  1
  H  H55  1  0.19052220  0.36650815  0.47568801  1
  H  H56  1  0.30946080  0.86651260  0.97567689  1
  H  H57  1  0.80945852  0.63346436  0.52435141  1
  H  H58  1  0.80106321  0.33654249  0.81517326  1
  H  H59  1  0.30102900  0.16343687  0.68484175  1
  H  H60  1  0.19895709  0.66345140  0.18483725  1
  H  H61  1  0.69892312  0.83653385  0.31517004  1
  H  H62  1  0.69247717  0.19455994  0.75222247  1
  H  H63  1  0.19245344  0.30542684  0.74778659  1
  H  H64  1  0.30752754  0.80544705  0.24778280  1
  H  H65  1  0.80751577  0.69455608  0.25222007  1
  H  H66  1  0.98371461  0.35765900  0.05337011  1
  H  H67  1  0.48373060  0.14238374  0.44661204  1
  H  H68  1  0.01626585  0.64236449  0.94661465  1
  H  H69  1  0.51628825  0.85768106  0.55336242  1
  H  H70  1  0.96861214  0.36722474  0.92411620  1
  H  H71  1  0.46877231  0.13278215  0.57586114  1
  H  H72  1  0.03125457  0.63277512  0.07586488  1
  H  H73  1  0.53141322  0.86722881  0.42410506  1
  C  C74  1  0.83401918  0.13658633  0.85682070  1
  C  C75  1  0.33402577  0.36334934  0.64317270  1
  C  C76  1  0.16596371  0.86336129  0.14316338  1
  C  C77  1  0.66597462  0.63658151  0.35682446  1
  C  C78  1  0.14107450  0.23981221  0.95405320  1
  C  C79  1  0.64107056  0.26031217  0.54591071  1
  C  C80  1  0.85893049  0.76028846  0.04591774  1
  C  C81  1  0.35892512  0.73983892  0.45405016  1
  C  C82  1  0.68071060  0.34383219  0.99698821  1
  C  C83  1  0.18071247  0.15615627  0.50303040  1
  C  C84  1  0.31928238  0.65616292  0.00303161  1
  C  C85  1  0.81927722  0.84383373  0.49698645  1
  C  C86  1  0.75997030  0.22547688  0.02815829  1
  C  C87  1  0.25999648  0.27451345  0.47186950  1
  C  C88  1  0.23999608  0.77451129  0.97186232  1
  C  C89  1  0.74002022  0.72548193  0.52816181  1
  C  C90  1  0.73771110  0.24582298  0.82520886  1
  C  C91  1  0.23768408  0.25415619  0.67480102  1
  C  C92  1  0.26230384  0.75417111  0.17479658  1
  C  C93  1  0.76227658  0.74581772  0.32520590  1
  C  C94  1  0.99100474  0.29709234  0.97500526  1
  C  C95  1  0.49101510  0.20297033  0.52497532  1
  C  C96  1  0.00898737  0.70295371  0.02497692  1
  C  C97  1  0.50899788  0.79710956  0.47499895  1
  N  N98  1  0.88445547  0.18053093  0.96183682  1
  N  N99  1  0.38442222  0.31941354  0.53817648  1
  N  N100  1  0.11556562  0.81941263  0.03816725  1
  N  N101  1  0.61553284  0.68053325  0.46184045  1
  N  N102  1  0.17501321  0.14292894  0.01875091  1
  N  N103  1  0.67511384  0.35721599  0.48123158  1
  N  N104  1  0.82490339  0.85720372  0.98124472  1
  N  N105  1  0.32500259  0.64294969  0.51874676  1
  N  N106  1  0.62394946  0.30100565  0.89705042  1
  N  N107  1  0.12392601  0.19897070  0.60295872  1
  N  N108  1  0.37606530  0.69898219  0.10295999  1
  N  N109  1  0.87604229  0.80100416  0.39704762  1
  O  O110  1  0.05068663  0.93209674  0.86932528  1
  O  O111  1  0.55028335  0.56739758  0.63083417  1
  O  O112  1  0.94975429  0.06748588  0.13081892  1
  O  O113  1  0.44930270  0.43199376  0.36934361  1
  O  O114  1  -0.01099058  0.94376746  0.62884214  1
  O  O115  1  0.48900267  0.55621600  0.87119026  1
  O  O116  1  1.01099549  0.05621226  0.37118235  1
  O  O117  1  0.51100067  0.44378330  0.12885983  1
  O  O118  1  0.89736041  0.41161348  0.63725811  1
  O  O119  1  0.39736785  0.08835222  0.86273552  1
  O  O120  1  0.10264480  0.58837725  0.36273513  1
  O  O121  1  0.60264849  0.91161827  0.13724674  1
  O  O122  1  0.05609785  0.64806987  0.65646804  1
  O  O123  1  0.55610849  0.85190349  0.84350522  1
  O  O124  1  0.94389867  0.35192945  0.34351180  1
  O  O125  1  0.44391329  0.14807264  0.15645450  1
  O  O126  1  0.31398584  0.84468830  0.72500123  1
  O  O127  1  0.81395059  0.65529987  0.77493694  1
  O  O128  1  0.68605473  0.15529196  0.27493267  1
  O  O129  1  0.18601587  0.34471110  0.22499967  1
  O  O130  1  0.04874965  0.50730000  0.80594168  1
  O  O131  1  0.54878843  0.99269317  0.69405104  1
  O  O132  1  0.95121636  0.49271718  0.19405555  1
  O  O133  1  0.45124795  0.00729325  0.30592397  1
