# generated using pymatgen
data_VH20C26S2(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.01618466
_cell_length_b   11.10542751
_cell_length_c   11.69509169
_cell_angle_alpha   62.92601521
_cell_angle_beta   79.16810883
_cell_angle_gamma   77.40995565
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VH20C26S2(NO2)2
_chemical_formula_sum   'V2 H40 C52 S4 N4 O8'
_cell_volume   1236.85636311
_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
  V  V0  1  0.80210526  0.22215839  0.33480447  1
  V  V1  1  0.19789779  0.77784300  0.66519163  1
  H  H2  1  0.75083990  0.42979728  0.43324833  1
  H  H3  1  0.24916163  0.57019847  0.56675517  1
  H  H4  1  0.59153002  0.63386673  0.41242464  1
  H  H5  1  0.40846912  0.36612736  0.58758474  1
  H  H6  1  0.41605741  0.55966758  0.15189868  1
  H  H7  1  0.58394535  0.44033703  0.84810155  1
  H  H8  1  0.57961139  0.35761122  0.18284496  1
  H  H9  1  0.42039253  0.64239361  0.81715167  1
  H  H10  1  0.22612860  0.87680275  0.14388081  1
  H  H11  1  0.77387601  0.12319467  0.85611753  1
  H  H12  1  0.34471914  0.79689557  0.06445911  1
  H  H13  1  0.65528776  0.20309879  0.93554395  1
  H  H14  1  0.15481904  0.63327530  0.38612397  1
  H  H15  1  0.84518234  0.36672781  0.61387552  1
  H  H16  1  0.03438919  0.44652268  0.43681040  1
  H  H17  1  0.96561384  0.55347677  0.56319265  1
  H  H18  1  0.09535443  0.52229268  0.03608806  1
  H  H19  1  0.90464818  0.47770345  0.96391606  1
  H  H20  1  0.23353316  0.68806227  0.99217843  1
  H  H21  1  0.76647090  0.31193364  0.00782309  1
  H  H22  1  0.57986774  0.08397407  0.47461571  1
  H  H23  1  0.42013262  0.91603656  0.52537624  1
  H  H24  1  0.52603148  0.89642906  0.68706528  1
  H  H25  1  0.47396328  0.10358373  0.31292548  1
  H  H26  1  0.88702533  0.88155915  0.79477533  1
  H  H27  1  0.11296781  0.11844930  0.20522433  1
  H  H28  1  0.92839804  0.06902452  0.57917585  1
  H  H29  1  0.07160010  0.93097930  0.42082452  1
  H  H30  1  0.76356268  0.60670422  0.08237139  1
  H  H31  1  0.23643023  0.39329697  0.91762087  1
  H  H32  1  0.86952068  0.69207705  0.94913916  1
  H  H33  1  0.13047103  0.30792842  0.05085376  1
  H  H34  1  0.98002981  0.78573773  0.04139783  1
  H  H35  1  0.01996480  0.21425043  0.95861037  1
  H  H36  1  0.98101096  0.93443084  0.14605262  1
  H  H37  1  0.01898691  0.06555430  0.85395853  1
  H  H38  1  0.57751818  0.01406242  0.17738672  1
  H  H39  1  0.42248007  0.98593776  0.82261435  1
  H  H40  1  0.57725383  0.85991012  0.07707073  1
  H  H41  1  0.42274049  0.14009166  0.92292977  1
  C  C42  1  0.67439671  0.46063988  0.37395458  1
  C  C43  1  0.32560527  0.53935838  0.62604820  1
  C  C44  1  0.58599386  0.57477197  0.36123854  1
  C  C45  1  0.41400716  0.42522503  0.63876709  1
  C  C46  1  0.48972718  0.60971725  0.28289317  1
  C  C47  1  0.51027501  0.39028239  0.71711047  1
  C  C48  1  0.48670482  0.53263389  0.21649455  1
  C  C49  1  0.51329861  0.46736887  0.78350551  1
  C  C50  1  0.57806379  0.41943187  0.23354878  1
  C  C51  1  0.42194000  0.58057166  0.76644928  1
  C  C52  1  0.28403336  0.77903399  0.15481636  1
  C  C53  1  0.71597119  0.22096265  0.84518492  1
  C  C54  1  0.20473793  0.67091920  0.18700664  1
  C  C55  1  0.79526527  0.32907868  0.81299454  1
  C  C56  1  0.14487721  0.60470790  0.31065551  1
  C  C57  1  0.85512574  0.39529160  0.68934613  1
  C  C58  1  0.07498721  0.50221026  0.33820991  1
  C  C59  1  0.92501592  0.49778826  0.66179302  1
  C  C60  1  0.05395273  0.47064650  0.24090593  1
  C  C61  1  0.94605135  0.52935085  0.75909768  1
  C  C62  1  0.11051311  0.54159346  0.11526136  1
  C  C63  1  0.88949009  0.45840368  0.88474172  1
  C  C64  1  0.18736850  0.63734971  0.08992127  1
  C  C65  1  0.81263510  0.36264766  0.91008031  1
  C  C66  1  0.97098407  0.36838772  0.27211624  1
  C  C67  1  0.02901991  0.63161011  0.72788596  1
  C  C68  1  0.64595877  0.03575216  0.54705266  1
  C  C69  1  0.35403950  0.96425756  0.45294180  1
  C  C70  1  0.61584998  0.93159487  0.66661259  1
  C  C71  1  0.38414556  0.06841583  0.33338108  1
  C  C72  1  0.70281488  0.87335172  0.75846929  1
  C  C73  1  0.29717937  0.12665636  0.24152606  1
  C  C74  1  0.81733765  0.92196674  0.72696337  1
  C  C75  1  0.18265761  0.07803955  0.27303450  1
  C  C76  1  0.84150643  0.02664643  0.60553405  1
  C  C77  1  0.15849108  0.97335894  0.39446397  1
  C  C78  1  0.77927366  0.70688798  0.00339607  1
  C  C79  1  0.22071908  0.29311511  0.99659923  1
  C  C80  1  0.77783573  0.80794519  0.05668729  1
  C  C81  1  0.22215854  0.19205228  0.94331422  1
  C  C82  1  0.89099704  0.83265874  0.07399472  1
  C  C83  1  0.10899824  0.16733246  0.92601146  1
  C  C84  1  0.89229678  0.91848374  0.13075315  1
  C  C85  1  0.10770052  0.08150661  0.86925347  1
  C  C86  1  0.78001423  0.98403036  0.17011235  1
  C  C87  1  0.21998442  0.01596591  0.82988916  1
  C  C88  1  0.66625080  0.96350845  0.14852610  1
  C  C89  1  0.33374671  0.03648977  0.85147559  1
  C  C90  1  0.66612039  0.87598980  0.09296891  1
  C  C91  1  0.33387488  0.12400873  0.90703315  1
  C  C92  1  0.78567275  0.07451519  0.22948574  1
  C  C93  1  0.21432856  0.92548300  0.77051276  1
  S  S94  1  0.38021197  0.74909820  0.27723293  1
  S  S95  1  0.61978852  0.25089970  0.72277136  1
  S  S96  1  0.65616430  0.74386180  0.90415910  1
  S  S97  1  0.34382735  0.25614722  0.09583533  1
  N  N98  1  0.66803228  0.38130300  0.31450037  1
  N  N99  1  0.33197086  0.61869831  0.68549864  1
  N  N100  1  0.75813768  0.08286938  0.51504969  1
  N  N101  1  0.24186206  0.91713649  0.48494625  1
  O  O102  1  0.93972377  0.28830036  0.39118204  1
  O  O103  1  0.06027940  0.71169671  0.60881940  1
  O  O104  1  0.92315172  0.36129304  0.18326560  1
  O  O105  1  0.07685312  0.63870612  0.81673527  1
  O  O106  1  0.89203636  0.08149712  0.25574268  1
  O  O107  1  0.10796476  0.91849719  0.74425913  1
  O  O108  1  0.68713778  0.14866262  0.25512022  1
  O  O109  1  0.31286482  0.85134061  0.74487363  1
