# generated using pymatgen
data_LiSiH19(C3N2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.18571200
_cell_length_b   9.47156400
_cell_length_c   24.85408896
_cell_angle_alpha   90.00000000
_cell_angle_beta   111.74400983
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSiH19(C3N2)2
_chemical_formula_sum   'Li8 Si8 H152 C48 N32'
_cell_volume   2664.49703723
_cell_formula_units_Z   8
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  0.21072900  0.67994700  0.49886400  1
  Li  Li1  1  0.21072900  0.82005300  0.99886400  1
  Li  Li2  1  0.78927100  0.32005300  0.50113600  1
  Li  Li3  1  0.78927100  0.17994700  0.00113600  1
  Li  Li4  1  0.06800100  0.58326300  0.54148400  1
  Li  Li5  1  0.06800100  0.91673700  0.04148400  1
  Li  Li6  1  0.93199900  0.41673700  0.45851600  1
  Li  Li7  1  0.93199900  0.08326300  0.95851600  1
  Si  Si8  1  0.07960500  0.54053700  0.40230600  1
  Si  Si9  1  0.07960500  0.95946300  0.90230600  1
  Si  Si10  1  0.92039500  0.45946300  0.59769400  1
  Si  Si11  1  0.92039500  0.04053700  0.09769400  1
  Si  Si12  1  0.31145100  0.81824800  0.60007000  1
  Si  Si13  1  0.31145100  0.68175200  0.10007000  1
  Si  Si14  1  0.68854900  0.18175200  0.39993000  1
  Si  Si15  1  0.68854900  0.31824800  0.89993000  1
  H  H16  1  0.16591700  0.41149900  0.48642900  1
  H  H17  1  0.16591700  0.08850100  0.98642900  1
  H  H18  1  0.83408300  0.58850100  0.51357100  1
  H  H19  1  0.83408300  0.91149900  0.01357100  1
  H  H20  1  0.11048700  0.83807700  0.56434000  1
  H  H21  1  0.11048700  0.66192300  0.06434000  1
  H  H22  1  0.88951300  0.16192300  0.43566000  1
  H  H23  1  0.88951300  0.33807700  0.93566000  1
  H  H24  1  0.11991000  0.55845200  0.29795600  1
  H  H25  1  0.11991000  0.94154800  0.79795600  1
  H  H26  1  0.88009000  0.44154800  0.70204400  1
  H  H27  1  0.88009000  0.05845200  0.20204400  1
  H  H28  1  0.19752100  0.39663000  0.30240900  1
  H  H29  1  0.19752100  0.10337000  0.80240900  1
  H  H30  1  0.80247900  0.60337000  0.69759100  1
  H  H31  1  0.80247900  0.89663000  0.19759100  1
  H  H32  1  0.04145900  0.40288100  0.26559900  1
  H  H33  1  0.04145900  0.09711900  0.76559900  1
  H  H34  1  0.95854100  0.59711900  0.73440100  1
  H  H35  1  0.95854100  0.90288100  0.23440100  1
  H  H36  1  0.08081200  0.23891800  0.40681400  1
  H  H37  1  0.08081200  0.26108200  0.90681400  1
  H  H38  1  0.91918800  0.76108200  0.59318600  1
  H  H39  1  0.91918800  0.73891800  0.09318600  1
  H  H40  1  0.01893900  0.21152100  0.33043100  1
  H  H41  1  0.01893900  0.28847900  0.83043100  1
  H  H42  1  0.98106100  0.78847900  0.66956900  1
  H  H43  1  0.98106100  0.71152100  0.16956900  1
  H  H44  1  0.17498300  0.20636800  0.36761500  1
  H  H45  1  0.17498300  0.29363200  0.86761500  1
  H  H46  1  0.82501700  0.79363200  0.63238500  1
  H  H47  1  0.82501700  0.70636800  0.13238500  1
  H  H48  1  0.81410200  0.70794800  0.40365000  1
  H  H49  1  0.81410200  0.79205200  0.90365000  1
  H  H50  1  0.18589800  0.29205200  0.59635000  1
  H  H51  1  0.18589800  0.20794800  0.09635000  1
  H  H52  1  0.88872900  0.82465800  0.37284700  1
  H  H53  1  0.88872900  0.67534200  0.87284700  1
  H  H54  1  0.11127100  0.17534200  0.62715300  1
  H  H55  1  0.11127100  0.32465800  0.12715300  1
  H  H56  1  0.96560400  0.75040300  0.44257900  1
  H  H57  1  0.96560400  0.74959700  0.94257900  1
  H  H58  1  0.03439600  0.24959700  0.55742100  1
  H  H59  1  0.03439600  0.25040300  0.05742100  1
  H  H60  1  0.76425500  0.55669300  0.31517600  1
  H  H61  1  0.76425500  0.94330700  0.81517600  1
  H  H62  1  0.23574500  0.44330700  0.68482400  1
  H  H63  1  0.23574500  0.05669300  0.18482400  1
  H  H64  1  0.84617600  0.66495600  0.28476500  1
  H  H65  1  0.84617600  0.83504400  0.78476500  1
  H  H66  1  0.15382400  0.33504400  0.71523500  1
  H  H67  1  0.15382400  0.16495600  0.21523500  1
  H  H68  1  0.88155500  0.48173300  0.29842700  1
  H  H69  1  0.88155500  0.01826700  0.79842700  1
  H  H70  1  0.11844500  0.51826700  0.70157300  1
  H  H71  1  0.11844500  0.98173300  0.20157300  1
  H  H72  1  0.19313000  0.90019600  0.38651500  1
  H  H73  1  0.19313000  0.59980400  0.88651500  1
  H  H74  1  0.80687000  0.09980400  0.61348500  1
  H  H75  1  0.80687000  0.40019600  0.11348500  1
  H  H76  1  0.15919300  0.78745500  0.32534400  1
  H  H77  1  0.15919300  0.71254500  0.82534400  1
  H  H78  1  0.84080700  0.21254500  0.67465600  1
  H  H79  1  0.84080700  0.28745500  0.17465600  1
  H  H80  1  0.04819000  0.82885600  0.35361100  1
  H  H81  1  0.04819000  0.67114400  0.85361100  1
  H  H82  1  0.95181000  0.17114400  0.64638900  1
  H  H83  1  0.95181000  0.32885600  0.14638900  1
  H  H84  1  0.31487200  0.61827500  0.37624200  1
  H  H85  1  0.31487200  0.88172500  0.87624200  1
  H  H86  1  0.68512800  0.38172500  0.62375800  1
  H  H87  1  0.68512800  0.11827500  0.12375800  1
  H  H88  1  0.32823800  0.55698600  0.44604300  1
  H  H89  1  0.32823800  0.94301400  0.94604300  1
  H  H90  1  0.67176200  0.44301400  0.55395700  1
  H  H91  1  0.67176200  0.05698600  0.05395700  1
  H  H92  1  0.35936200  0.73742400  0.43590000  1
  H  H93  1  0.35936200  0.76257600  0.93590000  1
  H  H94  1  0.64063800  0.26257600  0.56410000  1
  H  H95  1  0.64063800  0.23742400  0.06410000  1
  H  H96  1  0.52211800  0.88044000  0.73976800  1
  H  H97  1  0.52211800  0.61956000  0.23976800  1
  H  H98  1  0.47788200  0.11956000  0.26023200  1
  H  H99  1  0.47788200  0.38044000  0.76023200  1
  H  H100  1  0.49190000  0.69775400  0.74358800  1
  H  H101  1  0.49190000  0.80224600  0.24358800  1
  H  H102  1  0.50810000  0.30224600  0.25641200  1
  H  H103  1  0.50810000  0.19775400  0.75641200  1
  H  H104  1  0.53833100  0.76119000  0.68794700  1
  H  H105  1  0.53833100  0.73881000  0.18794700  1
  H  H106  1  0.46166900  0.23881000  0.31205300  1
  H  H107  1  0.46166900  0.26119000  0.81205300  1
  H  H108  1  0.19590400  0.86532400  0.67673700  1
  H  H109  1  0.19590400  0.63467600  0.17673700  1
  H  H110  1  0.80409600  0.13467600  0.32326300  1
  H  H111  1  0.80409600  0.36532400  0.82326300  1
  H  H112  1  0.31777900  0.95501900  0.72930100  1
  H  H113  1  0.31777900  0.54498100  0.22930100  1
  H  H114  1  0.68222100  0.04498100  0.27069900  1
  H  H115  1  0.68222100  0.45501900  0.77069900  1
  H  H116  1  0.28932500  0.77425800  0.73977900  1
  H  H117  1  0.28932500  0.72574200  0.23977900  1
  H  H118  1  0.71067500  0.22574200  0.26022100  1
  H  H119  1  0.71067500  0.27425800  0.76022100  1
  H  H120  1  0.48264500  0.53640300  0.63886500  1
  H  H121  1  0.48264500  0.96359700  0.13886500  1
  H  H122  1  0.51735500  0.46359700  0.36113500  1
  H  H123  1  0.51735500  0.03640300  0.86113500  1
  H  H124  1  0.41496600  0.47597600  0.56612600  1
  H  H125  1  0.41496600  0.02402400  0.06612600  1
  H  H126  1  0.58503400  0.52402400  0.43387400  1
  H  H127  1  0.58503400  0.97597600  0.93387400  1
  H  H128  1  0.32599000  0.52341800  0.60658900  1
  H  H129  1  0.32599000  0.97658200  0.10658900  1
  H  H130  1  0.67401000  0.47658200  0.39341100  1
  H  H131  1  0.67401000  0.02341800  0.89341100  1
  H  H132  1  0.49835200  0.84971300  0.55482400  1
  H  H133  1  0.49835200  0.65028700  0.05482400  1
  H  H134  1  0.50164800  0.15028700  0.44517600  1
  H  H135  1  0.50164800  0.34971300  0.94517600  1
  H  H136  1  0.58365200  0.73044000  0.61003500  1
  H  H137  1  0.58365200  0.76956000  0.11003500  1
  H  H138  1  0.41634800  0.26956000  0.38996500  1
  H  H139  1  0.41634800  0.23044000  0.88996500  1
  H  H140  1  0.52213600  0.67299500  0.53691200  1
  H  H141  1  0.52213600  0.82700500  0.03691200  1
  H  H142  1  0.47786400  0.32700500  0.46308800  1
  H  H143  1  0.47786400  0.17299500  0.96308800  1
  H  H144  1  0.27246600  0.15561200  0.52336500  1
  H  H145  1  0.27246600  0.34438800  0.02336500  1
  H  H146  1  0.72753400  0.84438800  0.47663500  1
  H  H147  1  0.72753400  0.65561200  0.97663500  1
  H  H148  1  0.21746800  0.98399700  0.49764800  1
  H  H149  1  0.21746800  0.51600300  0.99764800  1
  H  H150  1  0.78253200  0.01600300  0.50235200  1
  H  H151  1  0.78253200  0.48399700  0.00235200  1
  H  H152  1  0.36232400  0.03628500  0.50252600  1
  H  H153  1  0.36232400  0.46371500  0.00252600  1
  H  H154  1  0.63767600  0.96371500  0.49747400  1
  H  H155  1  0.63767600  0.53628500  0.99747400  1
  H  H156  1  0.41448500  0.18540800  0.61937100  1
  H  H157  1  0.41448500  0.31459200  0.11937100  1
  H  H158  1  0.58551500  0.81459200  0.38062900  1
  H  H159  1  0.58551500  0.68540800  0.88062900  1
  H  H160  1  0.46977300  0.03669900  0.66504900  1
  H  H161  1  0.46977300  0.46330100  0.16504900  1
  H  H162  1  0.53022700  0.96330100  0.33495100  1
  H  H163  1  0.53022700  0.53669900  0.83495100  1
  H  H164  1  0.51824100  0.07102200  0.60683500  1
  H  H165  1  0.51824100  0.42897800  0.10683500  1
  H  H166  1  0.48175900  0.92897800  0.39316500  1
  H  H167  1  0.48175900  0.57102200  0.89316500  1
  C  C168  1  0.11544700  0.44396500  0.30372500  1
  C  C169  1  0.11544700  0.05603500  0.80372500  1
  C  C170  1  0.88455300  0.55603500  0.69627500  1
  C  C171  1  0.88455300  0.94396500  0.19627500  1
  C  C172  1  0.09329900  0.26061400  0.36606900  1
  C  C173  1  0.09329900  0.23938600  0.86606900  1
  C  C174  1  0.90670100  0.73938600  0.63393100  1
  C  C175  1  0.90670100  0.76061400  0.13393100  1
  C  C176  1  0.89981900  0.72755900  0.39926600  1
  C  C177  1  0.89981900  0.77244100  0.89926600  1
  C  C178  1  0.10018100  0.27244100  0.60073400  1
  C  C179  1  0.10018100  0.22755900  0.10073400  1
  C  C180  1  0.85363600  0.57659600  0.31522200  1
  C  C181  1  0.85363600  0.92340400  0.81522200  1
  C  C182  1  0.14636400  0.42340400  0.68477800  1
  C  C183  1  0.14636400  0.07659600  0.18477800  1
  C  C184  1  0.14235500  0.80545300  0.36573300  1
  C  C185  1  0.14235500  0.69454700  0.86573300  1
  C  C186  1  0.85764500  0.19454700  0.63426700  1
  C  C187  1  0.85764500  0.30545300  0.13426700  1
  C  C188  1  0.30050200  0.64751300  0.41627300  1
  C  C189  1  0.30050200  0.85248700  0.91627300  1
  C  C190  1  0.69949800  0.35248700  0.58372700  1
  C  C191  1  0.69949800  0.14751300  0.08372700  1
  C  C192  1  0.48323100  0.78593700  0.71303800  1
  C  C193  1  0.48323100  0.71406300  0.21303800  1
  C  C194  1  0.51676900  0.21406300  0.28696200  1
  C  C195  1  0.51676900  0.28593700  0.78696200  1
  C  C196  1  0.28803400  0.85294500  0.70657900  1
  C  C197  1  0.28803400  0.64705500  0.20657900  1
  C  C198  1  0.71196600  0.14705500  0.29342100  1
  C  C199  1  0.71196600  0.35294500  0.79342100  1
  C  C200  1  0.40543300  0.55150200  0.59798900  1
  C  C201  1  0.40543300  0.94849800  0.09798900  1
  C  C202  1  0.59456700  0.44849800  0.40201100  1
  C  C203  1  0.59456700  0.05150200  0.90201100  1
  C  C204  1  0.50472500  0.73961800  0.56936800  1
  C  C205  1  0.50472500  0.76038200  0.06936800  1
  C  C206  1  0.49527500  0.26038200  0.43063200  1
  C  C207  1  0.49527500  0.23961800  0.93063200  1
  C  C208  1  0.29684000  0.04292800  0.52392600  1
  C  C209  1  0.29684000  0.45707200  0.02392600  1
  C  C210  1  0.70316000  0.95707200  0.47607400  1
  C  C211  1  0.70316000  0.54292800  0.97607400  1
  C  C212  1  0.44056600  0.07347400  0.62011100  1
  C  C213  1  0.44056600  0.42652600  0.12011100  1
  C  C214  1  0.55943400  0.92652600  0.37988900  1
  C  C215  1  0.55943400  0.57347400  0.87988900  1
  N  N216  1  0.10022100  0.41111400  0.35757600  1
  N  N217  1  0.10022100  0.08888600  0.85757600  1
  N  N218  1  0.89977900  0.58888600  0.64242400  1
  N  N219  1  0.89977900  0.91111400  0.14242400  1
  N  N220  1  0.93577800  0.60699700  0.37350400  1
  N  N221  1  0.93577800  0.89300300  0.87350400  1
  N  N222  1  0.06422200  0.39300300  0.62649600  1
  N  N223  1  0.06422200  0.10699700  0.12649600  1
  N  N224  1  0.17727200  0.68452400  0.40494800  1
  N  N225  1  0.17727200  0.81547600  0.90494800  1
  N  N226  1  0.82272800  0.31547600  0.59505200  1
  N  N227  1  0.82272800  0.18452400  0.09505200  1
  N  N228  1  0.10458100  0.49010300  0.47169800  1
  N  N229  1  0.10458100  0.00989700  0.97169800  1
  N  N230  1  0.89541900  0.50989700  0.52830200  1
  N  N231  1  0.89541900  0.99010300  0.02830200  1
  N  N232  1  0.36138400  0.80793900  0.67538200  1
  N  N233  1  0.36138400  0.69206100  0.17538200  1
  N  N234  1  0.63861600  0.19206100  0.32461800  1
  N  N235  1  0.63861600  0.30793900  0.82461800  1
  N  N236  1  0.39614200  0.69611800  0.57641900  1
  N  N237  1  0.39614200  0.80388200  0.07641900  1
  N  N238  1  0.60385800  0.30388200  0.42358100  1
  N  N239  1  0.60385800  0.19611800  0.92358100  1
  N  N240  1  0.34252600  0.98914500  0.58267300  1
  N  N241  1  0.34252600  0.51085500  0.08267300  1
  N  N242  1  0.65747400  0.01085500  0.41732700  1
  N  N243  1  0.65747400  0.48914500  0.91732700  1
  N  N244  1  0.17066300  0.76541200  0.56230000  1
  N  N245  1  0.17066300  0.73458800  0.06230000  1
  N  N246  1  0.82933700  0.23458800  0.43770000  1
  N  N247  1  0.82933700  0.26541200  0.93770000  1
