# generated using pymatgen
data_LiH8C2S2NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.65612300
_cell_length_b   10.98720000
_cell_length_c   13.40159500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH8C2S2NO5
_chemical_formula_sum   'Li8 H64 C16 S16 N8 O40'
_cell_volume   1569.07153611
_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  0.75000000  0.23687700  0.75000000  1
  Li  Li1  1  0.75000000  0.26312300  0.25000000  1
  Li  Li2  1  0.77123200  0.25000000  0.50000000  1
  Li  Li3  1  0.22876800  0.75000000  0.50000000  1
  Li  Li4  1  0.25000000  0.73687700  0.75000000  1
  Li  Li5  1  0.27123200  0.75000000  0.00000000  1
  Li  Li6  1  0.25000000  0.76312300  0.25000000  1
  Li  Li7  1  0.72876800  0.25000000  0.00000000  1
  H  H8  1  0.17199200  0.13068800  0.82287800  1
  H  H9  1  0.79021500  0.93225100  0.63739300  1
  H  H10  1  0.42519600  0.36282300  0.80392500  1
  H  H11  1  0.70978500  0.56774900  0.13739300  1
  H  H12  1  0.80201700  0.08361700  0.36188000  1
  H  H13  1  0.20978500  0.06774900  0.36260700  1
  H  H14  1  0.91197900  0.75390900  0.88239700  1
  H  H15  1  0.41197900  0.24609100  0.38239700  1
  H  H16  1  0.58802100  0.74609100  0.38239700  1
  H  H17  1  0.41197900  0.25390900  0.61760300  1
  H  H18  1  0.70978500  0.93225100  0.86260700  1
  H  H19  1  0.65858900  0.11633900  0.37311200  1
  H  H20  1  0.42519600  0.13717700  0.19607500  1
  H  H21  1  0.92234600  0.88410800  0.56252200  1
  H  H22  1  0.14045800  0.37539200  0.04507000  1
  H  H23  1  0.32800800  0.13068800  0.67712200  1
  H  H24  1  0.32800800  0.36931200  0.32287800  1
  H  H25  1  0.17199200  0.36931200  0.17712200  1
  H  H26  1  0.42234600  0.38410800  0.93747800  1
  H  H27  1  0.19798300  0.58361700  0.36188000  1
  H  H28  1  0.84141100  0.38366100  0.87311200  1
  H  H29  1  0.15858900  0.61633900  0.12688800  1
  H  H30  1  0.57480400  0.63717700  0.19607500  1
  H  H31  1  0.30201700  0.91638300  0.86188000  1
  H  H32  1  0.82800800  0.86931200  0.17712200  1
  H  H33  1  0.64045800  0.62460800  0.54507000  1
  H  H34  1  0.69798300  0.08361700  0.13812000  1
  H  H35  1  0.85954200  0.87539200  0.04507000  1
  H  H36  1  0.92519600  0.86282300  0.69607500  1
  H  H37  1  0.20978500  0.43225100  0.63739300  1
  H  H38  1  0.67199200  0.86931200  0.32287800  1
  H  H39  1  0.58802100  0.75390900  0.61760300  1
  H  H40  1  0.34141100  0.61633900  0.37311200  1
  H  H41  1  0.07765400  0.11589200  0.43747800  1
  H  H42  1  0.92519600  0.63717700  0.30392500  1
  H  H43  1  0.29021500  0.43225100  0.86260700  1
  H  H44  1  0.35954200  0.37539200  0.45493000  1
  H  H45  1  0.34141100  0.88366100  0.62688800  1
  H  H46  1  0.07765400  0.38410800  0.56252200  1
  H  H47  1  0.42234600  0.11589200  0.06252200  1
  H  H48  1  0.57765400  0.88410800  0.93747800  1
  H  H49  1  0.92234600  0.61589200  0.43747800  1
  H  H50  1  0.14045800  0.12460800  0.95493000  1
  H  H51  1  0.79021500  0.56774900  0.36260700  1
  H  H52  1  0.08802100  0.25390900  0.88239700  1
  H  H53  1  0.29021500  0.06774900  0.13739300  1
  H  H54  1  0.57765400  0.61589200  0.06252200  1
  H  H55  1  0.19798300  0.91638300  0.63812000  1
  H  H56  1  0.15858900  0.88366100  0.87311200  1
  H  H57  1  0.69798300  0.41638300  0.86188000  1
  H  H58  1  0.07480400  0.13717700  0.30392500  1
  H  H59  1  0.07480400  0.36282300  0.69607500  1
  H  H60  1  0.57480400  0.86282300  0.80392500  1
  H  H61  1  0.30201700  0.58361700  0.13812000  1
  H  H62  1  0.84141100  0.11633900  0.12688800  1
  H  H63  1  0.65858900  0.38366100  0.62688800  1
  H  H64  1  0.82800800  0.63068800  0.82287800  1
  H  H65  1  0.64045800  0.87539200  0.45493000  1
  H  H66  1  0.91197900  0.74609100  0.11760300  1
  H  H67  1  0.67199200  0.63068800  0.67712200  1
  H  H68  1  0.08802100  0.24609100  0.11760300  1
  H  H69  1  0.80201700  0.41638300  0.63812000  1
  H  H70  1  0.35954200  0.12460800  0.54507000  1
  H  H71  1  0.85954200  0.62460800  0.95493000  1
  C  C72  1  0.60759600  0.92081500  0.86513500  1
  C  C73  1  0.60593100  0.84442000  0.38209400  1
  C  C74  1  0.10593100  0.15558000  0.88209400  1
  C  C75  1  0.60759600  0.57918500  0.13486500  1
  C  C76  1  0.10759600  0.07918500  0.36513500  1
  C  C77  1  0.10759600  0.42081500  0.63486500  1
  C  C78  1  0.39406900  0.34442000  0.38209400  1
  C  C79  1  0.10593100  0.34442000  0.11790600  1
  C  C80  1  0.60593100  0.65558000  0.61790600  1
  C  C81  1  0.39240400  0.07918500  0.13486500  1
  C  C82  1  0.89406900  0.65558000  0.88209400  1
  C  C83  1  0.89240400  0.57918500  0.36513500  1
  C  C84  1  0.89240400  0.92081500  0.63486500  1
  C  C85  1  0.39240400  0.42081500  0.86513500  1
  C  C86  1  0.89406900  0.84442000  0.11790600  1
  C  C87  1  0.39406900  0.15558000  0.61790600  1
  S  S88  1  0.03871600  0.57928200  0.85889900  1
  S  S89  1  0.96128400  0.07928200  0.85889900  1
  S  S90  1  0.53770200  0.43243200  0.14905000  1
  S  S91  1  0.96128400  0.42071800  0.14110100  1
  S  S92  1  0.03770200  0.93243200  0.35095000  1
  S  S93  1  0.03770200  0.56756800  0.64905000  1
  S  S94  1  0.96229800  0.43243200  0.35095000  1
  S  S95  1  0.46229800  0.93243200  0.14905000  1
  S  S96  1  0.53770200  0.06756800  0.85095000  1
  S  S97  1  0.03871600  0.92071800  0.14110100  1
  S  S98  1  0.46128400  0.57928200  0.64110100  1
  S  S99  1  0.96229800  0.06756800  0.64905000  1
  S  S100  1  0.53871600  0.07928200  0.64110100  1
  S  S101  1  0.46229800  0.56756800  0.85095000  1
  S  S102  1  0.46128400  0.92071800  0.35889900  1
  S  S103  1  0.53871600  0.42071800  0.35889900  1
  N  N104  1  0.40986700  0.62613700  0.74829500  1
  N  N105  1  0.40986700  0.87386300  0.25170500  1
  N  N106  1  0.09013300  0.87386300  0.24829500  1
  N  N107  1  0.09013300  0.62613700  0.75170500  1
  N  N108  1  0.90986700  0.37386300  0.24829500  1
  N  N109  1  0.59013300  0.12613700  0.74829500  1
  N  N110  1  0.59013300  0.37386300  0.25170500  1
  N  N111  1  0.90986700  0.12613700  0.75170500  1
  O  O112  1  0.12916800  0.62051300  0.93274400  1
  O  O113  1  0.91699100  0.35562500  0.43158300  1
  O  O114  1  0.37083200  0.62051300  0.56725600  1
  O  O115  1  0.08300900  0.85562500  0.43158300  1
  O  O116  1  0.48786200  0.05189000  0.35915900  1
  O  O117  1  0.98786200  0.55189000  0.14084100  1
  O  O118  1  0.40084900  0.44953600  0.15200500  1
  O  O119  1  0.37083200  0.87948700  0.43274400  1
  O  O120  1  0.09915100  0.44953600  0.34799500  1
  O  O121  1  0.75702700  0.15235700  0.13257100  1
  O  O122  1  0.75702700  0.34764300  0.86742900  1
  O  O123  1  0.62916800  0.12051300  0.56725600  1
  O  O124  1  0.25702700  0.65235700  0.36742900  1
  O  O125  1  0.24297300  0.65235700  0.13257100  1
  O  O126  1  0.40084900  0.05046400  0.84799500  1
  O  O127  1  0.58300900  0.14437500  0.93158300  1
  O  O128  1  0.09915100  0.05046400  0.65200500  1
  O  O129  1  0.24297300  0.84764300  0.86742900  1
  O  O130  1  0.87083200  0.12051300  0.93274400  1
  O  O131  1  0.58300900  0.35562500  0.06841700  1
  O  O132  1  0.74297300  0.15235700  0.36742900  1
  O  O133  1  0.41699100  0.64437500  0.93158300  1
  O  O134  1  0.98786200  0.94811000  0.85915900  1
  O  O135  1  0.51213800  0.94811000  0.64084100  1
  O  O136  1  0.08300900  0.64437500  0.56841700  1
  O  O137  1  0.51213800  0.55189000  0.35915900  1
  O  O138  1  0.59915100  0.55046400  0.84799500  1
  O  O139  1  0.01213800  0.05189000  0.14084100  1
  O  O140  1  0.12916800  0.87948700  0.06725600  1
  O  O141  1  0.87083200  0.37948700  0.06725600  1
  O  O142  1  0.41699100  0.85562500  0.06841700  1
  O  O143  1  0.90084900  0.94953600  0.34799500  1
  O  O144  1  0.59915100  0.94953600  0.15200500  1
  O  O145  1  0.62916800  0.37948700  0.43274400  1
  O  O146  1  0.91699100  0.14437500  0.56841700  1
  O  O147  1  0.01213800  0.44811000  0.85915900  1
  O  O148  1  0.25702700  0.84764300  0.63257100  1
  O  O149  1  0.90084900  0.55046400  0.65200500  1
  O  O150  1  0.74297300  0.34764300  0.63257100  1
  O  O151  1  0.48786200  0.44811000  0.64084100  1
