# generated using pymatgen
data_V2Cr2FeH32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35760984
_cell_length_b   9.71075799
_cell_length_c   13.67294668
_cell_angle_alpha   103.33863923
_cell_angle_beta   90.00001430
_cell_angle_gamma   90.00013145
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Cr2FeH32C12(NO2)6
_chemical_formula_sum   'V4 Cr4 Fe2 H64 C24 N12 O24'
_cell_volume   1208.93658048
_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  0.10080367  0.87240470  0.73372871  1
  Cr  Cr1  1  0.60080658  0.62758704  0.76627124  1
  Cr  Cr2  1  0.89919413  0.12759464  0.26626998  1
  Cr  Cr3  1  0.39919229  0.37241386  0.23373103  1
  V  V4  1  0.95656709  0.56284736  0.72101313  1
  V  V5  1  0.45656623  0.93714324  0.77898757  1
  V  V6  1  0.04343205  0.43715443  0.27898839  1
  V  V7  1  0.54343195  0.06285632  0.22101105  1
  Fe  Fe8  1  -0.00000020  1.00000004  0.99999944  1
  Fe  Fe9  1  0.50000046  0.49999963  0.50000094  1
  H  H10  1  0.19619941  0.19405856  0.08892744  1
  H  H11  1  0.69619653  0.30594080  0.41107080  1
  H  H12  1  0.80380066  0.80594180  0.91107172  1
  H  H13  1  0.30380498  0.69406042  0.58893122  1
  H  H14  1  0.28080375  0.10020155  0.98785734  1
  H  H15  1  0.78080244  0.39979715  0.51214053  1
  H  H16  1  0.71919646  0.89979854  0.01214225  1
  H  H17  1  0.21919671  0.60020471  0.48786239  1
  H  H18  1  0.57763617  0.38142004  0.86579075  1
  H  H19  1  0.07763918  0.11857028  0.63420971  1
  H  H20  1  0.42236344  0.61858200  0.13421021  1
  H  H21  1  0.92235977  0.88143011  0.36578882  1
  H  H22  1  0.54640326  0.21153702  0.88180811  1
  H  H23  1  0.04640301  0.28845365  0.61819431  1
  H  H24  1  0.45359565  0.78846438  0.11819145  1
  H  H25  1  0.95359718  0.71154774  0.38180575  1
  H  H26  1  0.77662847  0.03480269  0.84825069  1
  H  H27  1  0.27662703  0.46519281  0.65175187  1
  H  H28  1  0.22337091  0.96519766  0.15174766  1
  H  H29  1  0.72337456  0.53480662  0.34825079  1
  H  H30  1  0.92975438  0.10998904  0.80560750  1
  H  H31  1  0.42975420  0.39000848  0.69439426  1
  H  H32  1  0.07024429  0.89001178  0.19439051  1
  H  H33  1  0.57024621  0.60998823  0.30560759  1
  H  H34  1  0.21479273  0.33018305  0.96604620  1
  H  H35  1  0.71479252  0.16981567  0.53395162  1
  H  H36  1  0.78520771  0.66981596  0.03395193  1
  H  H37  1  0.28520864  0.83018448  0.46604959  1
  H  H38  1  0.15052723  0.18329804  0.87525974  1
  H  H39  1  0.65053010  0.31670010  0.62473907  1
  H  H40  1  0.84947321  0.81670026  0.12473901  1
  H  H41  1  0.34947076  0.68329913  0.37526261  1
  H  H42  1  0.57608844  0.36523643  0.04285162  1
  H  H43  1  0.07609004  0.13475642  0.45714869  1
  H  H44  1  0.42391181  0.63476242  0.95714845  1
  H  H45  1  0.92390995  0.86524711  0.54284995  1
  H  H46  1  0.73462261  0.43496577  0.00149494  1
  H  H47  1  0.23462592  0.06503059  0.49850601  1
  H  H48  1  0.26537724  0.56503430  0.99850561  1
  H  H49  1  0.76537253  0.93496985  0.50149217  1
  H  H50  1  0.78935492  0.26068557  0.10362056  1
  H  H51  1  0.28935304  0.23931355  0.39638125  1
  H  H52  1  0.21064668  0.73931288  0.89637838  1
  H  H53  1  0.71065001  0.76068876  0.60361965  1
  H  H54  1  0.68869710  0.12839330  0.02082961  1
  H  H55  1  0.18869431  0.37160278  0.47917326  1
  H  H56  1  0.31130421  0.87160580  0.97916910  1
  H  H57  1  0.81130902  0.62839937  0.52082743  1
  H  H58  1  0.80843288  0.33566013  0.81334464  1
  H  H59  1  0.30843526  0.16433549  0.68665748  1
  H  H60  1  0.19156599  0.66434094  0.18665478  1
  H  H61  1  0.69156352  0.83566159  0.31334093  1
  H  H62  1  0.70279861  0.19244311  0.74497587  1
  H  H63  1  0.20279928  0.30755167  0.75502552  1
  H  H64  1  0.29719943  0.80755859  0.25502368  1
  H  H65  1  0.79720006  0.69244431  0.24497459  1
  H  H66  1  0.98274860  0.35356537  0.05626571  1
  H  H67  1  0.48274638  0.14643336  0.44373537  1
  H  H68  1  0.01725216  0.64643442  0.94373267  1
  H  H69  1  0.51725530  0.85356725  0.55626561  1
  H  H70  1  0.96766955  0.36830176  0.92798849  1
  H  H71  1  0.46766971  0.13169651  0.57201278  1
  H  H72  1  0.03233099  0.63169821  0.07201009  1
  H  H73  1  0.53233111  0.86830232  0.42798764  1
  C  C74  1  0.83678056  0.13373258  0.85502320  1
  C  C75  1  0.33678014  0.36626375  0.64497858  1
  C  C76  1  0.16321869  0.86626790  0.14497529  1
  C  C77  1  0.66322061  0.63373494  0.35502292  1
  C  C78  1  0.14110763  0.23972319  0.95417948  1
  C  C79  1  0.64110724  0.26027500  0.54581954  1
  C  C80  1  0.85889268  0.76027611  0.04581912  1
  C  C81  1  0.35889355  0.73972468  0.45418208  1
  C  C82  1  0.67061247  0.33861500  0.99481526  1
  C  C83  1  0.17061383  0.16137979  0.50518594  1
  C  C84  1  0.32938770  0.66138469  0.00518470  1
  C  C85  1  0.82938603  0.83862176  0.49481312  1
  C  C86  1  0.75542294  0.22263948  0.02558385  1
  C  C87  1  0.25542207  0.27735766  0.47441813  1
  C  C88  1  0.24457791  0.77735980  0.97441510  1
  C  C89  1  0.74458002  0.72264381  0.52558250  1
  C  C90  1  0.74606062  0.24214017  0.81921843  1
  C  C91  1  0.24606185  0.25785437  0.68078320  1
  C  C92  1  0.25393825  0.75786098  0.18078098  1
  C  C93  1  0.75393771  0.74214369  0.31921648  1
  C  C94  1  0.99061257  0.29561873  0.97727488  1
  C  C95  1  0.49061158  0.20437974  0.52272621  1
  C  C96  1  0.00938781  0.70438092  0.02272353  1
  C  C97  1  0.50938946  0.79561996  0.47727493  1
  N  N98  1  0.88271693  0.17974828  0.96134258  1
  N  N99  1  0.38271643  0.32025018  0.53865923  1
  N  N100  1  0.11728330  0.82025160  0.03865577  1
  N  N101  1  0.61728506  0.67975002  0.46134234  1
  N  N102  1  0.18318984  0.14013177  0.01551609  1
  N  N103  1  0.68318862  0.35986640  0.48448251  1
  N  N104  1  0.81681028  0.85986817  0.98448315  1
  N  N105  1  0.31681175  0.64013392  0.51551955  1
  N  N106  1  0.62395663  0.29227147  0.88826112  1
  N  N107  1  0.12395817  0.20772084  0.61174031  1
  N  N108  1  0.37604300  0.70772959  0.11173892  1
  N  N109  1  0.87604149  0.79227958  0.38825885  1
  O  O110  1  0.05190806  0.91068155  0.85859453  1
  O  O111  1  0.55191688  0.58931780  0.64140504  1
  O  O112  1  0.94809062  0.08931843  0.14140431  1
  O  O113  1  0.44808328  0.41068023  0.35859712  1
  O  O114  1  0.03102485  0.98266474  0.66723439  1
  O  O115  1  0.53102243  0.51732417  0.83276122  1
  O  O116  1  0.96897471  0.01733630  0.33276502  1
  O  O117  1  0.46897654  0.48267835  0.16724253  1
  O  O118  1  0.92285610  0.42278023  0.62425821  1
  O  O119  1  0.42285729  0.07720766  0.87574477  1
  O  O120  1  0.07714230  0.57721786  0.37574621  1
  O  O121  1  0.57714077  0.92279512  0.12425150  1
  O  O122  1  0.05064021  0.69297211  0.67060749  1
  O  O123  1  0.55064275  0.80701953  0.82939157  1
  O  O124  1  0.94935558  0.30702831  0.32939016  1
  O  O125  1  0.44935389  0.19298102  0.17060921  1
  O  O126  1  0.29456535  0.85694470  0.71845623  1
  O  O127  1  0.79456806  0.64304534  0.78154667  1
  O  O128  1  0.70543309  0.14305315  0.28154348  1
  O  O129  1  0.20543109  0.35695527  0.21845556  1
  O  O130  1  0.05729060  0.51064239  0.80643106  1
  O  O131  1  0.55728711  0.98935331  0.69357040  1
  O  O132  1  0.94271255  0.48936394  0.19357045  1
  O  O133  1  0.44271218  0.01064229  0.30642691  1
