# generated using pymatgen
data_VFe2Co2H32C12(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36388163
_cell_length_b   9.72383962
_cell_length_c   13.65614328
_cell_angle_alpha   103.61545403
_cell_angle_beta   90.00002573
_cell_angle_gamma   90.00016799
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Co2H32C12(NO2)6
_chemical_formula_sum   'V2 Fe4 Co4 H64 C24 N12 O24'
_cell_volume   1208.48774645
_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
  Fe  Fe0  1  0.09139322  0.85391776  0.72992801  1
  Fe  Fe1  1  0.59139549  0.64607391  0.77007615  1
  Fe  Fe2  1  0.90860575  0.14608545  0.27007206  1
  Fe  Fe3  1  0.40860726  0.35393143  0.22992552  1
  Co  Co4  1  0.94116703  0.55204280  0.73427428  1
  Co  Co5  1  0.44116490  0.94794376  0.76573055  1
  Co  Co6  1  0.05883547  0.44796173  0.26572892  1
  Co  Co7  1  0.55883492  0.05205847  0.23426514  1
  V  V8  1  -0.00000089  0.99999764  0.99999897  1
  V  V9  1  0.49999889  0.50000031  0.50000109  1
  H  H10  1  0.19316216  0.20405961  0.09023207  1
  H  H11  1  0.69315518  0.29593724  0.40976370  1
  H  H12  1  0.80683231  0.79593824  0.90976750  1
  H  H13  1  0.30684004  0.70406425  0.59023535  1
  H  H14  1  0.27705273  0.10315485  0.98993739  1
  H  H15  1  0.77704648  0.39683851  0.51006002  1
  H  H16  1  0.72295444  0.89684351  0.01006632  1
  H  H17  1  0.22295227  0.60315867  0.48994000  1
  H  H18  1  0.53104422  0.46156691  0.87126777  1
  H  H19  1  0.03105061  0.03841539  0.62871016  1
  H  H20  1  0.46895747  0.53844447  0.12875243  1
  H  H21  1  0.96894807  0.96158911  0.37129433  1
  H  H22  1  0.53148821  0.21691239  0.89269941  1
  H  H23  1  0.03148876  0.28306700  0.60728292  1
  H  H24  1  0.46851026  0.78308716  0.10728912  1
  H  H25  1  0.96851230  0.71693452  0.39271725  1
  H  H26  1  0.77114352  0.03112552  0.85377623  1
  H  H27  1  0.27112800  0.46885844  0.64621591  1
  H  H28  1  0.22885635  0.96887434  0.14621834  1
  H  H29  1  0.72887125  0.53114051  0.35378608  1
  H  H30  1  0.91715255  0.10983911  0.80602971  1
  H  H31  1  0.41714234  0.39015452  0.69396984  1
  H  H32  1  0.08285011  0.89015971  0.19396772  1
  H  H33  1  0.58285668  0.60984114  0.30603013  1
  H  H34  1  0.21351037  0.33194648  0.96672557  1
  H  H35  1  0.71350893  0.16805654  0.53327206  1
  H  H36  1  0.78649062  0.66805226  0.03327402  1
  H  H37  1  0.28649218  0.83194379  0.46672852  1
  H  H38  1  0.15471581  0.18372980  0.87413883  1
  H  H39  1  0.65472427  0.31627573  0.62586023  1
  H  H40  1  0.84527831  0.81626712  0.12586425  1
  H  H41  1  0.34527175  0.68372476  0.37413909  1
  H  H42  1  0.58159359  0.38467126  0.06225984  1
  H  H43  1  0.08161203  0.11535403  0.43774601  1
  H  H44  1  0.41839589  0.61533764  0.93774235  1
  H  H45  1  0.91838722  0.88465028  0.56225499  1
  H  H46  1  0.73942212  0.43122471  -0.00197791  1
  H  H47  1  0.23944528  0.06876202  0.50197630  1
  H  H48  1  0.26056744  0.56877088  1.00198019  1
  H  H49  1  0.76055409  0.93123655  0.49802423  1
  H  H50  1  0.79789983  0.27055192  0.10792523  1
  H  H51  1  0.29789948  0.22943535  0.39206961  1
  H  H52  1  0.20209579  0.72943820  0.89207230  1
  H  H53  1  0.70209746  0.77056651  0.60793038  1
  H  H54  1  0.69162804  0.13491584  0.03302452  1
  H  H55  1  0.19161850  0.36506449  0.46696627  1
  H  H56  1  0.30837114  0.86507563  0.96696698  1
  H  H57  1  0.80838032  0.63493663  0.53303530  1
  H  H58  1  0.78856868  0.32729451  0.81390657  1
  H  H59  1  0.28855527  0.17269126  0.68609319  1
  H  H60  1  0.21144302  0.67270698  0.18609463  1
  H  H61  1  0.71144599  0.82730022  0.31390000  1
  H  H62  1  0.68106244  0.18048507  0.75423568  1
  H  H63  1  0.18102967  0.31951125  0.74575182  1
  H  H64  1  0.31895513  0.81952662  0.24575762  1
  H  H65  1  0.81897425  0.68047791  0.25424920  1
  H  H66  1  0.98287337  0.36296508  0.05282177  1
  H  H67  1  0.48287539  0.13703235  0.44717317  1
  H  H68  1  0.01712389  0.63703014  0.94717615  1
  H  H69  1  0.51712494  0.86296853  0.55282711  1
  H  H70  1  0.96698078  0.36300512  0.92021239  1
  H  H71  1  0.46697763  0.13698993  0.57978150  1
  H  H72  1  0.03302353  0.63699264  0.07978571  1
  H  H73  1  0.53302345  0.86300761  0.42021855  1
  C  C74  1  0.82762282  0.13143217  0.85871497  1
  C  C75  1  0.32760953  0.36855690  0.64128041  1
  C  C76  1  0.17237840  0.86856674  0.14128269  1
  C  C77  1  0.67239385  0.63144032  0.35872153  1
  C  C78  1  0.14025815  0.24116667  0.95278742  1
  C  C79  1  0.64025609  0.25883361  0.54721084  1
  C  C80  1  0.85974241  0.75883070  0.04721285  1
  C  C81  1  0.35974295  0.74116493  0.45278853  1
  C  C82  1  0.67047501  0.34008691  0.99858470  1
  C  C83  1  0.17049368  0.15989968  0.50141678  1
  C  C84  1  0.32951579  0.65990898  0.00141580  1
  C  C85  1  0.82950664  0.84010072  0.49858333  1
  C  C86  1  0.75796845  0.22750639  0.03176920  1
  C  C87  1  0.25796932  0.27248413  0.46822688  1
  C  C88  1  0.24202641  0.77248807  0.96822691  1
  C  C89  1  0.74203094  0.72751524  0.53177259  1
  C  C90  1  0.72681169  0.23680950  0.82649914  1
  C  C91  1  0.22680163  0.26318254  0.67350171  1
  C  C92  1  0.27319521  0.76319629  0.17350086  1
  C  C93  1  0.77319923  0.73681298  0.32649670  1
  C  C94  1  0.98933465  0.29714352  0.97429471  1
  C  C95  1  0.48933489  0.20285277  0.52570210  1
  C  C96  1  0.01066427  0.70285393  0.02570526  1
  C  C97  1  0.51066383  0.79714595  0.47429850  1
  N  N98  1  0.88159735  0.18058161  0.96345620  1
  N  N99  1  0.38159495  0.31941199  0.53654121  1
  N  N100  1  0.11840222  0.81941499  0.03654183  1
  N  N101  1  0.61840321  0.68058755  0.46345931  1
  N  N102  1  0.17923988  0.14406442  0.01685209  1
  N  N103  1  0.67923615  0.35594017  0.48314988  1
  N  N104  1  0.82075715  0.85594257  0.98315806  1
  N  N105  1  0.32076246  0.64406007  0.51685097  1
  N  N106  1  0.61306757  0.29148753  0.89834569  1
  N  N107  1  0.11307251  0.20849459  0.60165120  1
  N  N108  1  0.38693048  0.70851150  0.10165229  1
  N  N109  1  0.88692871  0.79150478  0.39834875  1
  O  O110  1  0.04451036  0.93351281  0.87056134  1
  O  O111  1  0.54452145  0.56648889  0.62943814  1
  O  O112  1  0.95548965  0.06648620  0.12943984  1
  O  O113  1  0.45547643  0.43351072  0.37056404  1
  O  O114  1  -0.00978952  0.94803630  0.63865459  1
  O  O115  1  0.49020316  0.55195582  0.86134379  1
  O  O116  1  1.00978647  0.05196736  0.36134618  1
  O  O117  1  0.50980313  0.44804887  0.13865934  1
  O  O118  1  0.89704967  0.41103420  0.64060595  1
  O  O119  1  0.39704436  0.08895474  0.85939205  1
  O  O120  1  0.10295382  0.58896773  0.35939860  1
  O  O121  1  0.60295180  0.91104858  0.14060256  1
  O  O122  1  0.04639314  0.66482246  0.67846469  1
  O  O123  1  0.54638709  0.83516454  0.82153965  1
  O  O124  1  0.95359842  0.33518433  0.32153307  1
  O  O125  1  0.45361886  0.16484409  0.17845802  1
  O  O126  1  0.28742531  0.85164658  0.70864530  1
  O  O127  1  0.78742617  0.64834660  0.79135731  1
  O  O128  1  0.71257428  0.14835027  0.29135525  1
  O  O129  1  0.21257371  0.35165000  0.20864751  1
  O  O130  1  0.03294103  0.51083007  0.83002296  1
  O  O131  1  0.53294361  0.98915297  0.66998572  1
  O  O132  1  0.96707287  0.48919283  0.16998342  1
  O  O133  1  0.46705449  0.01083785  0.33000359  1
