# generated using pymatgen
data_LiSi4H27(C3O)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.95583319
_cell_length_b   13.11144480
_cell_length_c   16.53734895
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.18073866
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSi4H27(C3O)3
_chemical_formula_sum   'Li4 Si16 H108 C36 O12'
_cell_volume   2092.92806581
_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  0.29356047  0.57615282  0.74907855  1
  Li  Li1  1  0.70643953  0.92384718  0.24907855  1
  Li  Li2  1  0.70643953  0.42384718  0.25092145  1
  Li  Li3  1  0.29356047  0.07615282  0.75092145  1
  Si  Si4  1  0.23574111  0.38930074  0.62837281  1
  Si  Si5  1  0.76425889  0.11069926  0.12837281  1
  Si  Si6  1  0.76425889  0.61069926  0.37162719  1
  Si  Si7  1  0.23574111  0.88930074  0.87162719  1
  Si  Si8  1  0.49594432  0.43516711  0.78324752  1
  Si  Si9  1  0.50405568  0.06483289  0.28324752  1
  Si  Si10  1  0.50405568  0.56483289  0.21675248  1
  Si  Si11  1  0.49594432  0.93516711  0.71675248  1
  Si  Si12  1  0.13932132  0.37010131  0.83538035  1
  Si  Si13  1  0.86067868  0.12989869  0.33538035  1
  Si  Si14  1  0.86067868  0.62989869  0.16461965  1
  Si  Si15  1  0.13932132  0.87010131  0.66461965  1
  Si  Si16  1  0.29068231  0.31140388  0.74799123  1
  Si  Si17  1  0.70931769  0.18859612  0.24799123  1
  Si  Si18  1  0.70931769  0.68859612  0.25200877  1
  Si  Si19  1  0.29068231  0.81140388  0.75200877  1
  H  H20  1  0.43789329  0.36874711  0.54401594  1
  H  H21  1  0.56210671  0.13125289  0.04401594  1
  H  H22  1  0.56210671  0.63125289  0.45598406  1
  H  H23  1  0.43789329  0.86874711  0.95598406  1
  H  H24  1  0.28897449  0.26353422  0.52911528  1
  H  H25  1  0.71102551  0.23646578  0.02911528  1
  H  H26  1  0.71102551  0.73646578  0.47088472  1
  H  H27  1  0.28897449  0.76353422  0.97088472  1
  H  H28  1  0.29910809  0.38576949  0.48099435  1
  H  H29  1  0.70089191  0.11423051  0.98099435  1
  H  H30  1  0.70089191  0.61423051  0.51900565  1
  H  H31  1  0.29910809  0.88576949  0.01900565  1
  H  H32  1  0.03113639  0.38754876  0.54030973  1
  H  H33  1  0.96886361  0.11245124  0.04030973  1
  H  H34  1  0.96886361  0.61245124  0.45969027  1
  H  H35  1  0.03113639  0.88754876  0.95969027  1
  H  H36  1  0.99955963  0.27341187  0.60203727  1
  H  H37  1  0.00044037  0.22658813  0.10203727  1
  H  H38  1  0.00044037  0.72658813  0.39796273  1
  H  H39  1  0.99955963  0.77341187  0.89796273  1
  H  H40  1  0.98837504  0.39597208  0.64468478  1
  H  H41  1  0.01162496  0.10402792  0.14468478  1
  H  H42  1  0.01162496  0.60402792  0.35531522  1
  H  H43  1  0.98837504  0.89597208  0.85531522  1
  H  H44  1  0.72480819  0.52550088  0.72334640  1
  H  H45  1  0.27519181  0.97449912  0.22334640  1
  H  H46  1  0.27519181  0.47449912  0.27665360  1
  H  H47  1  0.72480819  0.02550088  0.77665360  1
  H  H48  1  0.67496225  0.39198398  0.69241560  1
  H  H49  1  0.32503775  0.10801602  0.19241560  1
  H  H50  1  0.32503775  0.60801602  0.30758440  1
  H  H51  1  0.67496225  0.89198398  0.80758440  1
  H  H52  1  0.59691840  0.48646869  0.64633102  1
  H  H53  1  0.40308160  0.01353131  0.14633102  1
  H  H54  1  0.40308160  0.51353131  0.35366898  1
  H  H55  1  0.59691840  0.98646869  0.85366898  1
  H  H56  1  0.50766234  0.37914434  0.92825218  1
  H  H57  1  0.49233766  0.12085566  0.42825218  1
  H  H58  1  0.49233766  0.62085566  0.07174782  1
  H  H59  1  0.50766234  0.87914434  0.57174782  1
  H  H60  1  0.60839884  0.31972334  0.86302372  1
  H  H61  1  0.39160116  0.18027666  0.36302372  1
  H  H62  1  0.39160116  0.68027666  0.13697628  1
  H  H63  1  0.60839884  0.81972334  0.63697628  1
  H  H64  1  0.67366706  0.45211012  0.89415502  1
  H  H65  1  0.32633294  0.04788988  0.39415502  1
  H  H66  1  0.32633294  0.54788988  0.10584498  1
  H  H67  1  0.67366706  0.95211012  0.60584498  1
  H  H68  1  0.11015571  0.40395807  0.98225701  1
  H  H69  1  0.88984429  0.09604193  0.48225701  1
  H  H70  1  0.88984429  0.59604193  0.01774299  1
  H  H71  1  0.11015571  0.90395807  0.51774299  1
  H  H72  1  0.20878221  0.30933520  0.96892677  1
  H  H73  1  0.79121779  0.19066480  0.46892677  1
  H  H74  1  0.79121779  0.69066480  0.03107323  1
  H  H75  1  0.20878221  0.80933520  0.53107323  1
  H  H76  1  0.28813174  0.44546262  0.95309411  1
  H  H77  1  0.71186826  0.05453738  0.45309411  1
  H  H78  1  0.71186826  0.55453738  0.04690589  1
  H  H79  1  0.28813174  0.94546262  0.54690589  1
  H  H80  1  0.90961311  0.27709032  0.77512121  1
  H  H81  1  0.09038689  0.22290968  0.27512121  1
  H  H82  1  0.09038689  0.72290968  0.22487879  1
  H  H83  1  0.90961311  0.77709032  0.72487879  1
  H  H84  1  0.96483371  0.20074588  0.85142909  1
  H  H85  1  0.03516629  0.29925412  0.35142909  1
  H  H86  1  0.03516629  0.79925412  0.14857091  1
  H  H87  1  0.96483371  0.70074588  0.64857091  1
  H  H88  1  0.89046599  0.30497323  0.87974803  1
  H  H89  1  0.10953401  0.19502677  0.37974803  1
  H  H90  1  0.10953401  0.69502677  0.12025197  1
  H  H91  1  0.89046599  0.80497323  0.62025197  1
  H  H92  1  0.28218104  0.55346130  0.50992083  1
  H  H93  1  0.71781896  0.94653870  0.00992083  1
  H  H94  1  0.71781896  0.44653870  0.49007917  1
  H  H95  1  0.28218104  0.05346130  0.99007917  1
  H  H96  1  0.16882546  0.60868559  0.56998512  1
  H  H97  1  0.83117454  0.89131441  0.06998512  1
  H  H98  1  0.83117454  0.39131441  0.43001488  1
  H  H99  1  0.16882546  0.10868559  0.93001488  1
  H  H100  1  0.35215820  0.66461501  0.57273121  1
  H  H101  1  0.64784180  0.83538499  0.07273121  1
  H  H102  1  0.64784180  0.33538499  0.42726879  1
  H  H103  1  0.35215820  0.16461501  0.92726879  1
  H  H104  1  0.65481266  0.66750762  0.79837447  1
  H  H105  1  0.34518734  0.83249238  0.29837447  1
  H  H106  1  0.34518734  0.33249238  0.20162553  1
  H  H107  1  0.65481266  0.16750762  0.70162553  1
  H  H108  1  0.51816056  0.70558608  0.85143890  1
  H  H109  1  0.48183944  0.79441392  0.35143890  1
  H  H110  1  0.48183944  0.29441392  0.14856110  1
  H  H111  1  0.51816056  0.20558608  0.64856110  1
  H  H112  1  0.60500607  0.61556943  0.89693453  1
  H  H113  1  0.39499393  0.88443057  0.39693453  1
  H  H114  1  0.39499393  0.38443057  0.10306547  1
  H  H115  1  0.60500607  0.11556943  0.60306547  1
  H  H116  1  0.07322798  0.58407173  0.90093541  1
  H  H117  1  0.92677202  0.91592827  0.40093541  1
  H  H118  1  0.92677202  0.41592827  0.09906459  1
  H  H119  1  0.07322798  0.08407173  0.59906459  1
  H  H120  1  0.00473889  0.60143899  0.80324893  1
  H  H121  1  0.99526111  0.89856101  0.30324893  1
  H  H122  1  0.99526111  0.39856101  0.19675107  1
  H  H123  1  0.00473889  0.10143899  0.69675107  1
  H  H124  1  0.93140142  0.48588490  0.86088086  1
  H  H125  1  0.06859858  0.01411510  0.36088086  1
  H  H126  1  0.06859858  0.51411510  0.13911914  1
  H  H127  1  0.93140142  0.98588490  0.63911914  1
  C  C128  1  0.27123843  0.59046399  0.56829442  1
  C  C129  1  0.72876157  0.90953601  0.06829442  1
  C  C130  1  0.72876157  0.40953601  0.43170558  1
  C  C131  1  0.27123843  0.09046399  0.93170558  1
  C  C132  1  0.56605478  0.63990659  0.83956820  1
  C  C133  1  0.43394522  0.86009341  0.33956820  1
  C  C134  1  0.43394522  0.36009341  0.16043180  1
  C  C135  1  0.56605478  0.13990659  0.66043180  1
  C  C136  1  0.02849053  0.54316498  0.84525980  1
  C  C137  1  0.97150947  0.95683502  0.34525980  1
  C  C138  1  0.97150947  0.45683502  0.15474020  1
  C  C139  1  0.02849053  0.04316498  0.65474020  1
  C  C140  1  0.32462734  0.34929717  0.53708578  1
  C  C141  1  0.67537266  0.15070283  0.03708578  1
  C  C142  1  0.67537266  0.65070283  0.46291422  1
  C  C143  1  0.32462734  0.84929717  0.96291422  1
  C  C144  1  0.04556828  0.35867194  0.60153062  1
  C  C145  1  0.95443172  0.14132806  0.10153062  1
  C  C146  1  0.95443172  0.64132806  0.39846938  1
  C  C147  1  0.04556828  0.85867194  0.89846938  1
  C  C148  1  0.63601975  0.46233344  0.70352520  1
  C  C149  1  0.36398025  0.03766656  0.20352520  1
  C  C150  1  0.36398025  0.53766656  0.29647480  1
  C  C151  1  0.63601975  0.96233344  0.79647480  1
  C  C152  1  0.57873898  0.39351670  0.87634836  1
  C  C153  1  0.42126102  0.10648330  0.37634836  1
  C  C154  1  0.42126102  0.60648330  0.12365164  1
  C  C155  1  0.57873898  0.89351670  0.62365164  1
  C  C156  1  0.19209477  0.38364094  0.94531798  1
  C  C157  1  0.80790523  0.11635906  0.44531798  1
  C  C158  1  0.80790523  0.61635906  0.05468202  1
  C  C159  1  0.19209477  0.88364094  0.55468202  1
  C  C160  1  0.95857146  0.28082644  0.83500243  1
  C  C161  1  0.04142854  0.21917356  0.33500243  1
  C  C162  1  0.04142854  0.71917356  0.16499757  1
  C  C163  1  0.95857146  0.78082644  0.66499757  1
  O  O164  1  0.28754237  0.52472432  0.63516547  1
  O  O165  1  0.71245763  0.97527568  0.13516547  1
  O  O166  1  0.71245763  0.47527568  0.36483453  1
  O  O167  1  0.28754237  0.02472432  0.86483453  1
  O  O168  1  0.46266659  0.55571468  0.80437503  1
  O  O169  1  0.53733341  0.94428532  0.30437503  1
  O  O170  1  0.53733341  0.44428532  0.19562497  1
  O  O171  1  0.46266659  0.05571468  0.69562497  1
  O  O172  1  0.12458675  0.49346624  0.80637516  1
  O  O173  1  0.87541325  0.00653376  0.30637516  1
  O  O174  1  0.87541325  0.50653376  0.19362484  1
  O  O175  1  0.12458675  0.99346624  0.69362484  1
