# generated using pymatgen
data_Li19Mn8C16(SO16)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45927200
_cell_length_b   9.55050989
_cell_length_c   16.38879394
_cell_angle_alpha   74.12259581
_cell_angle_beta   73.52415432
_cell_angle_gamma   60.37057326
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li19Mn8C16(SO16)4
_chemical_formula_sum   'Li19 Mn8 C16 S4 O64'
_cell_volume   1218.23620482
_cell_formula_units_Z   1
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  0.01153700  0.41152800  0.67185600  1
  Li  Li1  1  0.79016800  0.80505700  0.53727600  1
  Li  Li2  1  0.91576200  0.91302500  0.16365800  1
  Li  Li3  1  0.40795000  0.41552100  0.66763600  1
  Li  Li4  1  0.41634000  0.00230900  0.66888600  1
  Li  Li5  1  0.71710700  0.70834500  0.96082000  1
  Li  Li6  1  0.50435200  0.08388600  0.84290900  1
  Li  Li7  1  0.12240400  0.69598200  0.95859500  1
  Li  Li8  1  0.36250500  0.78499000  0.54320000  1
  Li  Li9  1  0.87305400  0.28525100  0.03695900  1
  Li  Li10  1  0.31173800  0.27060100  0.04208000  1
  Li  Li11  1  0.58497700  0.00184900  0.32787900  1
  Li  Li12  1  0.57266600  0.58426800  0.33305600  1
  Li  Li13  1  0.07368500  0.08229300  0.84043400  1
  Li  Li14  1  0.91619100  0.50625000  0.16424800  1
  Li  Li15  1  0.78705500  0.36872000  0.54611400  1
  Li  Li16  1  0.21882700  0.20574200  0.46195000  1
  Li  Li17  1  0.29622800  0.87041900  0.04421000  1
  Li  Li18  1  0.02086300  0.57067400  0.33705100  1
  Mn  Mn19  1  0.50061700  0.50232700  0.99924400  1
  Mn  Mn20  1  0.75428000  0.75192700  0.74812600  1
  Mn  Mn21  1  0.74499300  0.25584500  0.75191400  1
  Mn  Mn22  1  0.25128000  0.75041300  0.25013400  1
  Mn  Mn23  1  0.24744600  0.75387300  0.74951700  1
  Mn  Mn24  1  0.99494300  0.00234600  0.49797000  1
  Mn  Mn25  1  0.74759500  0.24997500  0.25012900  1
  Mn  Mn26  1  0.25588800  0.24603500  0.24880300  1
  C  C27  1  0.80580700  0.42841400  0.85967900  1
  C  C28  1  0.41546900  0.81214400  0.86333500  1
  C  C29  1  0.07811100  0.70319700  0.63325000  1
  C  C30  1  0.40633400  0.42757600  0.85745900  1
  C  C31  1  0.91880800  0.91196100  0.35436700  1
  C  C32  1  0.39569500  0.38911800  0.33098100  1
  C  C33  1  0.69554700  0.07976900  0.63879800  1
  C  C34  1  0.89355800  0.89963700  0.83032900  1
  C  C35  1  0.29845000  0.92125100  0.36488500  1
  C  C36  1  0.60853100  0.61130000  0.66118600  1
  C  C37  1  0.10299400  0.11321000  0.16728300  1
  C  C38  1  0.58316700  0.58689800  0.14204000  1
  C  C39  1  0.09050500  0.07960300  0.63905400  1
  C  C40  1  0.91772500  0.30190700  0.36047500  1
  C  C41  1  0.58051000  0.20070700  0.14054500  1
  C  C42  1  0.19117900  0.58614300  0.13754000  1
  S  S43  1  0.18975200  0.17627700  0.94248600  1
  S  S44  1  0.68816900  0.68547200  0.43628600  1
  S  S45  1  0.30913400  0.30300500  0.56965300  1
  S  S46  1  0.82333200  0.80101000  0.06257200  1
  O  O47  1  0.09555100  0.07714000  0.97311500  1
  O  O48  1  0.87933800  0.35021100  0.79555200  1
  O  O49  1  0.74620500  0.36478500  0.93246700  1
  O  O50  1  0.35099800  0.08306700  0.97536200  1
  O  O51  1  0.22747700  0.20080300  0.84698900  1
  O  O52  1  0.73704800  0.62620600  0.66015600  1
  O  O53  1  0.08925100  0.32982800  0.97958000  1
  O  O54  1  0.78463300  0.57596100  0.85341300  1
  O  O55  1  0.47440900  0.74494300  0.93437500  1
  O  O56  1  0.06423900  0.78369000  0.34494600  1
  O  O57  1  0.00630700  0.62764900  0.69344100  1
  O  O58  1  0.52837100  0.28512300  0.85165700  1
  O  O59  1  0.49355700  0.87374000  0.79716700  1
  O  O60  1  0.35244700  0.51607400  0.78558700  1
  O  O61  1  0.00210900  0.79469000  0.56887200  1
  O  O62  1  0.83828100  0.98396300  0.29091800  1
  O  O63  1  0.11365200  0.97474900  0.16399400  1
  O  O64  1  0.62183200  0.47293600  0.65520300  1
  O  O65  1  0.68498500  0.94734100  0.64218700  1
  O  O66  1  0.21825500  0.68959600  0.63706400  1
  O  O67  1  0.72051900  0.19951800  0.14284000  1
  O  O68  1  0.34120000  0.48305900  0.92930500  1
  O  O69  1  0.85999100  0.95854800  0.42792900  1
  O  O70  1  0.39760500  0.14426800  0.53608200  1
  O  O71  1  0.58820600  0.59252000  0.46771500  1
  O  O72  1  0.76200300  0.88621800  0.83363300  1
  O  O73  1  0.36033300  0.83984900  0.30144900  1
  O  O74  1  0.03582300  0.76654900  0.82817700  1
  O  O75  1  0.53747300  0.25698700  0.32187000  1
  O  O76  1  0.21587900  0.87181400  0.43480800  1
  O  O77  1  0.71366400  0.72227200  0.34037300  1
  O  O78  1  0.85209000  0.58502100  0.46497500  1
  O  O79  1  0.14774100  0.39949100  0.53882900  1
  O  O80  1  0.27315600  0.26469200  0.66720600  1
  O  O81  1  0.78632500  0.12860900  0.57316400  1
  O  O82  1  0.95588900  0.24249700  0.17606900  1
  O  O83  1  0.46303300  0.74073500  0.66689800  1
  O  O84  1  0.61801700  0.16474400  0.69988800  1
  O  O85  1  0.22902100  0.13353200  0.16115500  1
  O  O86  1  0.59747600  0.84058900  0.47294600  1
  O  O87  1  0.40908900  0.39194600  0.54645500  1
  O  O88  1  0.78747800  0.29916300  0.35167500  1
  O  O89  1  0.15243800  0.02119800  0.56789800  1
  O  O90  1  0.27865600  0.81870400  0.85823300  1
  O  O91  1  0.64820200  0.53742200  0.06839300  1
  O  O92  1  0.88727900  0.03691500  0.82853200  1
  O  O93  1  0.32217800  0.04510900  0.36029900  1
  O  O94  1  0.39339400  0.52588500  0.32584400  1
  O  O95  1  0.97632000  0.22515800  0.43269800  1
  O  O96  1  0.16255500  0.99611000  0.70713800  1
  O  O97  1  0.66247600  0.52075100  0.20553900  1
  O  O98  1  0.51693900  0.12664200  0.20505300  1
  O  O99  1  0.96193800  0.21788200  0.64558700  1
  O  O100  1  0.43188700  0.70589400  0.15001400  1
  O  O101  1  0.98907200  0.37907500  0.30270600  1
  O  O102  1  0.51153600  0.27899600  0.07413400  1
  O  O103  1  0.17693500  0.45622800  0.14372800  1
  O  O104  1  0.92266300  0.63872300  0.02957400  1
  O  O105  1  0.26245100  0.37381400  0.34269800  1
  O  O106  1  0.66349000  0.88366600  0.03302800  1
  O  O107  1  0.80627300  0.76635500  0.15885400  1
  O  O108  1  0.25580900  0.64843300  0.06635300  1
  O  O109  1  0.13518400  0.65762900  0.20612000  1
  O  O110  1  0.92219400  0.89411000  0.02927700  1
