# generated using pymatgen
data_LiMnH8(SO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31911300
_cell_length_b   11.60569487
_cell_length_c   11.73788302
_cell_angle_alpha   114.78192499
_cell_angle_beta   113.27090604
_cell_angle_gamma   89.88380087
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnH8(SO6)2
_chemical_formula_sum   'Li4 Mn4 H32 S8 O48'
_cell_volume   1038.26852131
_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  0.24588400  0.21339400  0.27566500  1
  Li  Li1  1  0.42997300  0.79128400  0.72971700  1
  Li  Li2  1  0.97342600  0.28692500  0.72506600  1
  Li  Li3  1  0.69423600  0.69990800  0.26373500  1
  Mn  Mn4  1  0.00266800  0.99975600  0.49844200  1
  Mn  Mn5  1  0.24883300  0.75004300  0.00012100  1
  Mn  Mn6  1  0.50326500  0.50193900  0.50217800  1
  Mn  Mn7  1  0.74653200  0.24956600  0.00042600  1
  H  H8  1  0.99832700  0.16802000  0.96223300  1
  H  H9  1  0.09162400  0.53943300  0.72964800  1
  H  H10  1  0.11133800  0.67542800  0.72601000  1
  H  H11  1  0.25875900  0.04443000  0.73767600  1
  H  H12  1  0.02087200  0.96962100  0.25769500  1
  H  H13  1  0.46479400  0.16978400  0.97284900  1
  H  H14  1  0.28946800  0.95984800  0.60554500  1
  H  H15  1  0.19224600  0.52625900  0.38913400  1
  H  H16  1  0.19210400  0.04020100  0.38762500  1
  H  H17  1  0.31143900  0.47296100  0.60781800  1
  H  H18  1  0.49869300  0.66731900  0.95810300  1
  H  H19  1  0.03615300  0.33173200  0.03877200  1
  H  H20  1  0.23999500  0.47176300  0.26434000  1
  H  H21  1  0.47788600  0.53944600  0.73631100  1
  H  H22  1  0.36278600  0.96268300  0.26980000  1
  H  H23  1  0.59224300  0.17318900  0.72785500  1
  H  H24  1  0.38728800  0.82761500  0.27518600  1
  H  H25  1  0.64175600  0.03985500  0.73077500  1
  H  H26  1  0.52212200  0.45567400  0.26182200  1
  H  H27  1  0.76217600  0.52970400  0.74151200  1
  H  H28  1  0.96815400  0.67093800  0.97703700  1
  H  H29  1  0.49338100  0.32921200  0.02808000  1
  H  H30  1  0.68398300  0.54032100  0.39387700  1
  H  H31  1  0.80583300  0.97545400  0.61256900  1
  H  H32  1  0.80335800  0.45971400  0.61106800  1
  H  H33  1  0.70657800  0.03300400  0.39488600  1
  H  H34  1  0.54141200  0.83165600  0.04268100  1
  H  H35  1  0.97691300  0.02906300  0.73730800  1
  H  H36  1  0.74312700  0.96386000  0.26509300  1
  H  H37  1  0.86529300  0.32688400  0.27358600  1
  H  H38  1  0.91256800  0.46005300  0.27037200  1
  H  H39  1  0.98947900  0.82800600  0.02229700  1
  S  S40  1  0.22385800  0.03223600  0.96910400  1
  S  S41  1  0.01838800  0.28977100  0.51498500  1
  S  S42  1  0.50655600  0.79019700  0.52333800  1
  S  S43  1  0.25620000  0.46863300  0.03222700  1
  S  S44  1  0.72214500  0.53210900  0.97157100  1
  S  S45  1  0.50216200  0.21181000  0.48585800  1
  S  S46  1  0.98261700  0.71131300  0.47653700  1
  S  S47  1  0.74965900  0.96565100  0.02710200  1
  O  O48  1  0.05675700  0.04392300  0.89134600  1
  O  O49  1  0.17043800  0.37515600  0.88492700  1
  O  O50  1  0.01889300  0.18416600  0.56450400  1
  O  O51  1  0.22090500  0.89688400  0.94953100  1
  O  O52  1  0.15536900  0.62931300  0.78309100  1
  O  O53  1  0.08218900  0.76225300  0.62642900  1
  O  O54  1  0.03826400  0.60249200  0.39300400  1
  O  O55  1  0.32482300  0.05343600  0.90439700  1
  O  O56  1  0.18038100  0.33220300  0.54059300  1
  O  O57  1  0.23644000  0.03227000  0.64250300  1
  O  O58  1  0.09004800  0.98313900  0.35372000  1
  O  O59  1  0.04158600  0.74923300  0.99822000  1
  O  O60  1  0.26106100  0.46901200  0.35450000  1
  O  O61  1  0.40525800  0.54284100  0.64704400  1
  O  O62  1  0.37611000  0.82938700  0.56637400  1
  O  O63  1  0.16807800  0.45596600  0.11059400  1
  O  O64  1  0.55864200  0.54508600  0.88699500  1
  O  O65  1  0.35307900  0.10867200  0.38527600  1
  O  O66  1  0.53119500  0.25915200  0.63033300  1
  O  O67  1  0.28432900  0.12558600  0.11620400  1
  O  O68  1  0.45178700  0.31809400  0.43770000  1
  O  O69  1  0.62976400  0.12831600  0.78723100  1
  O  O70  1  0.27005500  0.60389100  0.05144700  1
  O  O71  1  0.71573200  0.39538300  0.94806700  1
  O  O72  1  0.37188600  0.87216100  0.21636900  1
  O  O73  1  0.55891600  0.68528000  0.57057800  1
  O  O74  1  0.65241300  0.87520700  0.88007300  1
  O  O75  1  0.45716100  0.73953000  0.37387000  1
  O  O76  1  0.64599600  0.89812400  0.60755100  1
  O  O77  1  0.42252500  0.44847900  0.09613500  1
  O  O78  1  0.83238800  0.55549500  0.91565600  1
  O  O79  1  0.63880200  0.17016800  0.45891100  1
  O  O80  1  0.59346400  0.46942800  0.35782700  1
  O  O81  1  0.73493600  0.51675200  0.64543500  1
  O  O82  1  0.45996700  0.74974400  0.00234800  1
  O  O83  1  0.54139300  0.24944200  0.00232900  1
  O  O84  1  0.90857100  0.03304600  0.64788500  1
  O  O85  1  0.76217400  0.96321100  0.35619000  1
  O  O86  1  0.80963800  0.67258000  0.43366500  1
  O  O87  1  0.67086500  0.95505800  0.11290200  1
  O  O88  1  0.96814800  0.39274600  0.61543500  1
  O  O89  1  0.90286600  0.24093500  0.37047900  1
  O  O90  1  0.84539300  0.37134100  0.21386600  1
  O  O91  1  0.76883700  0.10210300  0.04994600  1
  O  O92  1  0.98931200  0.81617800  0.43000600  1
  O  O93  1  0.77258200  0.62229000  0.11914800  1
  O  O94  1  0.91528900  0.94098700  0.08291000  1
  O  O95  1  0.95530900  0.25001600  0.99876900  1
