# generated using pymatgen
data_Li9Mn21O40
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04945100
_cell_length_b   6.05085731
_cell_length_c   21.07935215
_cell_angle_alpha   97.69319688
_cell_angle_beta   97.35358006
_cell_angle_gamma   93.93371448
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li9Mn21O40
_chemical_formula_sum   'Li9 Mn21 O40'
_cell_volume   755.47121983
_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  0.27077000  0.03013300  0.04853500  1
  Li  Li1  1  0.88159100  0.61678000  0.25274300  1
  Li  Li2  1  0.92639800  0.17502700  0.35158800  1
  Li  Li3  1  0.46608800  0.23163600  0.45185300  1
  Li  Li4  1  0.53891200  0.76445400  0.55075600  1
  Li  Li5  1  0.66150100  0.43656400  0.84875700  1
  Li  Li6  1  0.06442200  0.83732300  0.65019900  1
  Li  Li7  1  0.13579700  0.36244500  0.74958400  1
  Li  Li8  1  0.73519200  0.96332800  0.94792300  1
  Mn  Mn9  1  0.99401800  0.49919600  0.99550600  1
  Mn  Mn10  1  0.09399200  0.10083200  0.20168500  1
  Mn  Mn11  1  0.49871500  0.50461100  0.99811400  1
  Mn  Mn12  1  0.80715300  0.80127300  0.10052900  1
  Mn  Mn13  1  0.80248800  0.28998900  0.09661000  1
  Mn  Mn14  1  0.60335700  0.10714900  0.20097300  1
  Mn  Mn15  1  0.32137800  0.58466900  0.14963300  1
  Mn  Mn16  1  0.20589300  0.69502400  0.40310900  1
  Mn  Mn17  1  0.39616300  0.90805100  0.30431200  1
  Mn  Mn18  1  0.59978300  0.59997100  0.69962200  1
  Mn  Mn19  1  0.30031500  0.29927900  0.60036100  1
  Mn  Mn20  1  0.70564700  0.69192600  0.40008000  1
  Mn  Mn21  1  0.00025700  0.00064300  0.49989300  1
  Mn  Mn22  1  0.39393100  0.40366300  0.30225000  1
  Mn  Mn23  1  0.80013000  0.29944900  0.60045800  1
  Mn  Mn24  1  0.59941900  0.09947000  0.69979600  1
  Mn  Mn25  1  0.00104900  0.50032000  0.50165500  1
  Mn  Mn26  1  0.19871700  0.69873000  0.89776100  1
  Mn  Mn27  1  0.39958700  0.89860800  0.79895700  1
  Mn  Mn28  1  0.90006500  0.89952100  0.79908300  1
  Mn  Mn29  1  0.20108000  0.19899100  0.89855400  1
  O  O30  1  0.04470800  0.03842800  0.10871800  1
  O  O31  1  0.76647500  0.71430600  0.00289900  1
  O  O32  1  0.57160000  0.06348200  0.10664200  1
  O  O33  1  0.76164100  0.26809600  0.00122500  1
  O  O34  1  0.02893700  0.52925100  0.09001500  1
  O  O35  1  0.15880000  0.16490200  0.29497700  1
  O  O36  1  0.56987800  0.55957900  0.09404900  1
  O  O37  1  0.86181400  0.86476900  0.19748600  1
  O  O38  1  0.86476800  0.31260400  0.19545000  1
  O  O39  1  0.34069200  0.89223700  0.20753100  1
  O  O40  1  0.18644500  0.64284200  0.30803600  1
  O  O41  1  0.60655700  0.16856300  0.29795200  1
  O  O42  1  0.63129400  0.63843000  0.30645000  1
  O  O43  1  0.33842300  0.34267300  0.20842700  1
  O  O44  1  0.97292800  0.90888700  0.40431800  1
  O  O45  1  0.21364400  0.26699600  0.50571000  1
  O  O46  1  0.56724500  0.51202600  0.60480100  1
  O  O47  1  0.03050200  0.53415200  0.59482900  1
  O  O48  1  0.43636500  0.92804800  0.39768500  1
  O  O49  1  0.76871600  0.26841800  0.50643700  1
  O  O50  1  0.97381000  0.46518100  0.40853500  1
  O  O51  1  0.56987800  0.06610100  0.60588200  1
  O  O52  1  0.23495900  0.73222300  0.49574600  1
  O  O53  1  0.63267900  0.68635700  0.79406300  1
  O  O54  1  0.03300200  0.08703400  0.59523500  1
  O  O55  1  0.43599400  0.47932700  0.39675700  1
  O  O56  1  0.78832600  0.73384200  0.49516400  1
  O  O57  1  0.38648300  0.33223300  0.69480500  1
  O  O58  1  0.16871900  0.66510800  0.80413700  1
  O  O59  1  0.62966300  0.13280800  0.79326500  1
  O  O60  1  0.83249000  0.33155100  0.69393100  1
  O  O61  1  0.36705600  0.86762000  0.70508000  1
  O  O62  1  0.41173600  0.46658100  0.90281100  1
  O  O63  1  0.81287600  0.86754500  0.70442700  1
  O  O64  1  0.16727000  0.11124100  0.80367600  1
  O  O65  1  0.43216100  0.92964500  0.89237500  1
  O  O66  1  0.22715200  0.73298100  0.99099600  1
  O  O67  1  0.96507300  0.46722800  0.90260100  1
  O  O68  1  0.23178200  0.28805700  0.99317400  1
  O  O69  1  0.98642500  0.93205800  0.89345600  1
