# generated using pymatgen
data_Li2Si3H30(C5N2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.78603522
_cell_length_b   12.78603522
_cell_length_c   14.46619631
_cell_angle_alpha   80.82636492
_cell_angle_beta   80.82636492
_cell_angle_gamma   76.12586435
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Si3H30(C5N2)2
_chemical_formula_sum   'Li8 Si12 H120 C40 N16'
_cell_volume   2248.41185007
_cell_formula_units_Z   4
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
  Li  Li0  1  0.15775272  0.83682610  0.66662729  1
  Li  Li1  1  0.16317390  0.84224728  0.83337271  1
  Li  Li2  1  0.84224728  0.16317390  0.33337271  1
  Li  Li3  1  0.83682610  0.15775272  0.16662729  1
  Li  Li4  1  0.34753901  0.76131948  0.64985824  1
  Li  Li5  1  0.23868052  0.65246099  0.85014176  1
  Li  Li6  1  0.65246099  0.23868052  0.35014176  1
  Li  Li7  1  0.76131948  0.34753901  0.14985824  1
  Si  Si8  1  0.15187301  0.63708810  0.70070485  1
  Si  Si9  1  0.36291190  0.84812699  0.79929515  1
  Si  Si10  1  0.84812699  0.36291190  0.29929515  1
  Si  Si11  1  0.63708810  0.15187301  0.20070485  1
  Si  Si12  1  0.96649525  0.77547863  0.83131437  1
  Si  Si13  1  0.22452137  0.03350475  0.66868563  1
  Si  Si14  1  0.03350475  0.22452137  0.16868563  1
  Si  Si15  1  0.77547863  0.96649525  0.33131437  1
  Si  Si16  1  0.26723072  0.68059927  0.49649481  1
  Si  Si17  1  0.31940073  0.73276928  0.00350519  1
  Si  Si18  1  0.73276928  0.31940073  0.50350519  1
  Si  Si19  1  0.68059927  0.26723072  0.99649481  1
  H  H20  1  0.11263033  0.50902115  0.88223595  1
  H  H21  1  0.49097885  0.88736967  0.61776405  1
  H  H22  1  0.88736967  0.49097885  0.11776405  1
  H  H23  1  0.50902115  0.11263033  0.38223595  1
  H  H24  1  0.17177112  0.39077298  0.82640870  1
  H  H25  1  0.60922702  0.82822888  0.67359130  1
  H  H26  1  0.82822888  0.60922702  0.17359130  1
  H  H27  1  0.39077298  0.17177112  0.32640870  1
  H  H28  1  0.24605624  0.43230288  0.90175723  1
  H  H29  1  0.56769712  0.75394376  0.59824277  1
  H  H30  1  0.75394376  0.56769712  0.09824277  1
  H  H31  1  0.43230288  0.24605624  0.40175723  1
  H  H32  1  0.37487796  0.51284276  0.66537817  1
  H  H33  1  0.48715724  0.62512204  0.83462183  1
  H  H34  1  0.62512204  0.48715724  0.33462183  1
  H  H35  1  0.51284276  0.37487796  0.16537817  1
  H  H36  1  0.39593744  0.43479369  0.77784026  1
  H  H37  1  0.56520631  0.60406256  0.72215974  1
  H  H38  1  0.60406256  0.56520631  0.22215974  1
  H  H39  1  0.43479369  0.39593744  0.27784026  1
  H  H40  1  0.32366821  0.39262544  0.70047393  1
  H  H41  1  0.60737456  0.67633179  0.79952607  1
  H  H42  1  0.67633179  0.60737456  0.29952607  1
  H  H43  1  0.39262544  0.32366821  0.20047393  1
  H  H44  1  0.92918020  0.60213365  0.92741270  1
  H  H45  1  0.39786635  0.07081980  0.57258730  1
  H  H46  1  0.07081980  0.39786635  0.07258730  1
  H  H47  1  0.60213365  0.92918020  0.42741270  1
  H  H48  1  0.80984921  0.70698768  0.92225917  1
  H  H49  1  0.29301232  0.19015079  0.57774083  1
  H  H50  1  0.19015079  0.29301232  0.07774083  1
  H  H51  1  0.70698768  0.80984921  0.42225917  1
  H  H52  1  0.86279966  0.63376712  0.82422930  1
  H  H53  1  0.36623288  0.13720034  0.67577070  1
  H  H54  1  0.13720034  0.36623288  0.17577070  1
  H  H55  1  0.63376712  0.86279966  0.32422930  1
  H  H56  1  0.02218662  0.79054727  0.98866999  1
  H  H57  1  0.20945273  0.97781338  0.51133001  1
  H  H58  1  0.97781338  0.20945273  0.01133001  1
  H  H59  1  0.79054727  0.02218662  0.48866999  1
  H  H60  1  0.00714819  0.91918260  0.91530606  1
  H  H61  1  0.08081740  0.99285181  0.58469394  1
  H  H62  1  0.99285181  0.08081740  0.08469394  1
  H  H63  1  0.91918260  0.00714819  0.41530606  1
  H  H64  1  0.89163922  0.87210926  0.97007653  1
  H  H65  1  0.12789074  0.10836078  0.52992347  1
  H  H66  1  0.10836078  0.12789074  0.02992347  1
  H  H67  1  0.87210926  0.89163922  0.47007653  1
  H  H68  1  0.91122681  0.95501326  0.73018706  1
  H  H69  1  0.04498674  0.08877319  0.76981294  1
  H  H70  1  0.08877319  0.04498674  0.26981294  1
  H  H71  1  0.95501326  0.91122681  0.23018706  1
  H  H72  1  0.85033485  0.85634253  0.69913436  1
  H  H73  1  0.14365747  0.14966515  0.80086564  1
  H  H74  1  0.14966515  0.14365747  0.30086564  1
  H  H75  1  0.85634253  0.85033485  0.19913436  1
  H  H76  1  0.79890002  0.91683954  0.80401145  1
  H  H77  1  0.08316046  0.20109998  0.69598855  1
  H  H78  1  0.20109998  0.08316046  0.19598855  1
  H  H79  1  0.91683954  0.79890002  0.30401145  1
  H  H80  1  0.13864646  0.84425794  0.42382611  1
  H  H81  1  0.15574206  0.86135354  0.07617389  1
  H  H82  1  0.86135354  0.15574206  0.57617389  1
  H  H83  1  0.84425794  0.13864646  0.92382611  1
  H  H84  1  0.19806912  0.75005960  0.34212594  1
  H  H85  1  0.24994040  0.80193088  0.15787406  1
  H  H86  1  0.80193088  0.24994040  0.65787406  1
  H  H87  1  0.75005960  0.19806912  0.84212594  1
  H  H88  1  0.08947011  0.72428039  0.42921149  1
  H  H89  1  0.27571961  0.91052989  0.07078851  1
  H  H90  1  0.91052989  0.27571961  0.57078851  1
  H  H91  1  0.72428039  0.08947011  0.92921149  1
  H  H92  1  0.36474287  0.48223000  0.50598436  1
  H  H93  1  0.51777000  0.63525713  0.99401564  1
  H  H94  1  0.63525713  0.51777000  0.49401564  1
  H  H95  1  0.48223000  0.36474287  0.00598436  1
  H  H96  1  0.22970355  0.50044079  0.47985972  1
  H  H97  1  0.49955921  0.77029645  0.02014028  1
  H  H98  1  0.77029645  0.49955921  0.52014028  1
  H  H99  1  0.50044079  0.22970355  0.97985972  1
  H  H100  1  0.33169831  0.53761979  0.39071663  1
  H  H101  1  0.46238021  0.66830169  0.10928337  1
  H  H102  1  0.66830169  0.46238021  0.60928337  1
  H  H103  1  0.53761979  0.33169831  0.89071663  1
  H  H104  1  0.46326458  0.69424078  0.48718767  1
  H  H105  1  0.30575922  0.53673542  0.01281233  1
  H  H106  1  0.53673542  0.30575922  0.51281233  1
  H  H107  1  0.69424078  0.46326458  0.98718767  1
  H  H108  1  0.41677377  0.72344187  0.37502620  1
  H  H109  1  0.27655813  0.58322623  0.12497380  1
  H  H110  1  0.58322623  0.27655813  0.62497380  1
  H  H111  1  0.72344187  0.41677377  0.87502620  1
  H  H112  1  0.37858218  0.82365212  0.45280428  1
  H  H113  1  0.17634788  0.62141782  0.04719572  1
  H  H114  1  0.62141782  0.17634788  0.54719572  1
  H  H115  1  0.82365212  0.37858218  0.95280428  1
  H  H116  1  0.13313490  0.41214789  0.69401448  1
  H  H117  1  0.58785211  0.86686510  0.80598552  1
  H  H118  1  0.86686510  0.58785211  0.30598552  1
  H  H119  1  0.41214789  0.13313490  0.19401448  1
  H  H120  1  0.98952031  0.43906217  0.69713681  1
  H  H121  1  0.56093783  0.01047969  0.80286319  1
  H  H122  1  0.01047969  0.56093783  0.30286319  1
  H  H123  1  0.43906217  0.98952031  0.19713681  1
  H  H124  1  0.07406353  0.44715950  0.58707828  1
  H  H125  1  0.55284050  0.92593647  0.91292172  1
  H  H126  1  0.92593647  0.55284050  0.41292172  1
  H  H127  1  0.44715950  0.07406353  0.08707828  1
  H  H128  1  0.95558321  0.73093874  0.62408361  1
  H  H129  1  0.26906126  0.04441679  0.87591639  1
  H  H130  1  0.04441679  0.26906126  0.37591639  1
  H  H131  1  0.73093874  0.95558321  0.12408361  1
  H  H132  1  0.97316646  0.63313258  0.54474320  1
  H  H133  1  0.36686742  0.02683354  0.95525680  1
  H  H134  1  0.02683354  0.36686742  0.45525680  1
  H  H135  1  0.63313258  0.97316646  0.04474320  1
  H  H136  1  0.88772987  0.62117758  0.65407621  1
  H  H137  1  0.37882242  0.11227013  0.84592379  1
  H  H138  1  0.11227013  0.37882242  0.34592379  1
  H  H139  1  0.62117758  0.88772987  0.15407621  1
  C  C140  1  0.18911921  0.46298866  0.84860819  1
  C  C141  1  0.53701134  0.81088079  0.65139181  1
  C  C142  1  0.81088079  0.53701134  0.15139181  1
  C  C143  1  0.46298866  0.18911921  0.34860819  1
  C  C144  1  0.33799395  0.46469961  0.72556463  1
  C  C145  1  0.53530039  0.66200605  0.77443537  1
  C  C146  1  0.66200605  0.53530039  0.27443537  1
  C  C147  1  0.46469961  0.33799395  0.22556463  1
  C  C148  1  0.88545918  0.66903174  0.88059110  1
  C  C149  1  0.33096826  0.11454082  0.61940890  1
  C  C150  1  0.11454082  0.33096826  0.11940890  1
  C  C151  1  0.66903174  0.88545918  0.38059110  1
  C  C152  1  0.97487397  0.84476513  0.93570193  1
  C  C153  1  0.15523487  0.02512603  0.56429807  1
  C  C154  1  0.02512603  0.15523487  0.06429807  1
  C  C155  1  0.84476513  0.97487397  0.43570193  1
  C  C156  1  0.87406347  0.88530321  0.75863420  1
  C  C157  1  0.11469679  0.12593653  0.74136580  1
  C  C158  1  0.12593653  0.11469679  0.24136580  1
  C  C159  1  0.88530321  0.87406347  0.25863420  1
  C  C160  1  0.16316923  0.75716393  0.41618903  1
  C  C161  1  0.24283607  0.83683077  0.08381097  1
  C  C162  1  0.83683077  0.24283607  0.58381097  1
  C  C163  1  0.75716393  0.16316923  0.91618903  1
  C  C164  1  0.30153025  0.53633362  0.46658682  1
  C  C165  1  0.46366638  0.69846975  0.03341318  1
  C  C166  1  0.69846975  0.46366638  0.53341318  1
  C  C167  1  0.53633362  0.30153025  0.96658682  1
  C  C168  1  0.39311514  0.73572841  0.44976106  1
  C  C169  1  0.26427159  0.60688486  0.05023894  1
  C  C170  1  0.60688486  0.26427159  0.55023894  1
  C  C171  1  0.73572841  0.39311514  0.94976106  1
  C  C172  1  0.06447948  0.46463983  0.66116110  1
  C  C173  1  0.53536017  0.93552052  0.83883890  1
  C  C174  1  0.93552052  0.53536017  0.33883890  1
  C  C175  1  0.46463983  0.06447948  0.16116110  1
  C  C176  1  0.96453036  0.64421895  0.62026364  1
  C  C177  1  0.35578105  0.03546964  0.87973636  1
  C  C178  1  0.03546964  0.35578105  0.37973636  1
  C  C179  1  0.64421895  0.96453036  0.12026364  1
  N  N180  1  0.23763853  0.53059893  0.76941828  1
  N  N181  1  0.46940107  0.76236147  0.73058172  1
  N  N182  1  0.76236147  0.46940107  0.23058172  1
  N  N183  1  0.53059893  0.23763853  0.26941828  1
  N  N184  1  0.09686748  0.73389101  0.77724124  1
  N  N185  1  0.26610899  0.90313252  0.72275876  1
  N  N186  1  0.90313252  0.26610899  0.22275876  1
  N  N187  1  0.73389101  0.09686748  0.27724124  1
  N  N188  1  0.23328779  0.69817139  0.61340989  1
  N  N189  1  0.30182861  0.76671221  0.88659011  1
  N  N190  1  0.76671221  0.30182861  0.38659011  1
  N  N191  1  0.69817139  0.23328779  0.11340989  1
  N  N192  1  0.05606887  0.57879661  0.66602380  1
  N  N193  1  0.42120339  0.94393113  0.83397620  1
  N  N194  1  0.94393113  0.42120339  0.33397620  1
  N  N195  1  0.57879661  0.05606887  0.16602380  1
