# generated using pymatgen data_Li26(B24O)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21843300 _cell_length_b 8.21936579 _cell_length_c 16.47349073 _cell_angle_alpha 89.99605417 _cell_angle_beta 90.04991364 _cell_angle_gamma 119.99203244 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li26(B24O)3 _chemical_formula_sum 'Li26 B72 O3' _cell_volume 963.78076276 _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 0.76056700 0.79547100 0.25620300 1.0 Li Li1 1 0.36025500 0.71125200 0.99986800 1.0 Li Li2 1 0.34243500 0.68449400 0.24870300 1.0 Li Li3 1 0.34689400 0.67369000 0.49904000 1.0 Li Li4 1 0.34659000 0.67264700 0.75188600 1.0 Li Li5 1 0.04023700 0.80226500 0.23012800 1.0 Li Li6 1 0.84892900 0.73708300 0.50087500 1.0 Li Li7 1 0.84641700 0.73613000 0.75164900 1.0 Li Li8 1 0.18711200 0.37587400 0.99699500 1.0 Li Li9 1 0.01528900 0.25069300 0.49798600 1.0 Li Li10 1 0.14707800 0.29272800 0.25012800 1.0 Li Li11 1 0.01711600 0.25080000 0.74991900 1.0 Li Li12 1 0.27178000 0.20707400 0.50188700 1.0 Li Li13 1 0.27280900 0.20607600 0.74646700 1.0 Li Li14 1 0.70074700 0.39788100 0.00002600 1.0 Li Li15 1 0.67784500 0.35359900 0.24747200 1.0 Li Li16 1 0.67673800 0.34110000 0.49830400 1.0 Li Li17 1 0.79398700 0.10566000 0.00214500 1.0 Li Li18 1 0.67692400 0.34115600 0.75262000 1.0 Li Li19 1 0.75270400 0.95592000 0.49686200 1.0 Li Li20 1 0.82831000 0.10314400 0.24306500 1.0 Li Li21 1 0.75248900 0.95667400 0.75456900 1.0 Li Li22 1 0.32000100 0.11560200 0.99843900 1.0 Li Li23 1 0.27699100 0.10426300 0.25680800 1.0 Li Li24 1 0.16873800 0.89309300 0.49688900 1.0 Li Li25 1 0.16747700 0.89118100 0.75335700 1.0 B B26 1 0.50457400 0.01006100 0.20041300 1.0 B B27 1 0.50486300 0.01033600 0.45033100 1.0 B B28 1 0.50395600 0.00880900 0.05148600 1.0 B B29 1 0.55212400 0.88273000 0.12647200 1.0 B B30 1 0.55615100 0.88956700 0.37482500 1.0 B B31 1 0.55979800 0.89589400 0.62560800 1.0 B B32 1 0.55583600 0.88924200 0.87502500 1.0 B B33 1 0.55232000 0.67718800 0.12617500 1.0 B B34 1 0.55551700 0.68364800 0.37536700 1.0 B B35 1 0.56285300 0.69235400 0.62565700 1.0 B B36 1 0.55839400 0.68490900 0.87490400 1.0 B B37 1 0.33047500 0.88198900 0.12623300 1.0 B B38 1 0.33566600 0.88989100 0.37400600 1.0 B B39 1 0.33833400 0.89660500 0.62539900 1.0 B B40 1 0.33531900 0.88919000 0.87588700 1.0 B B41 1 0.51426500 0.51702600 0.45070000 1.0 B B42 1 0.51548400 0.51933600 0.69974700 1.0 B B43 1 0.50318100 0.50815200 0.05077100 1.0 B B44 1 0.51738100 0.52144400 0.55084100 1.0 B B45 1 0.49919600 0.50514200 0.30146700 1.0 B B46 1 0.12594000 0.67487500 0.12478000 1.0 B B47 1 0.13035300 0.68496800 0.37315800 1.0 B B48 1 0.13448200 0.69111100 0.62538300 1.0 B B49 1 0.12971800 0.68435100 0.87606700 1.0 B B50 1 0.33066000 0.45544100 0.12524500 1.0 B B51 1 0.33536100 0.46307500 0.37883200 1.0 B B52 1 0.34217600 0.47049400 0.62481400 1.0 B B53 1 0.33661300 0.46355600 0.87216900 1.0 B B54 1 0.12559700 0.45426600 0.12492700 1.0 B B55 1 0.13037500 0.46427500 0.37742500 1.0 B B56 1 0.13546800 0.47019100 0.62464000 1.0 B B57 1 0.13071200 0.46376500 0.87276800 1.0 B B58 1 0.00471900 0.49985300 0.19972100 1.0 B B59 1 0.00920700 0.52087300 0.44978500 1.0 B B60 1 0.00940000 0.51156900 0.94919400 1.0 B B61 1 0.01237400 0.52079100 0.69949100 1.0 B B62 1 0.00771500 0.50714800 0.30065900 1.0 B B63 1 0.00580000 0.50639700 0.05026500 1.0 B B64 1 0.01206400 0.52290500 0.55049500 1.0 B B65 1 0.00906600 0.51694200 0.80021000 1.0 B B66 1 0.88106800 0.55325700 0.12518400 1.0 B B67 1 0.88510300 0.56242700 0.37305200 1.0 B B68 1 0.89006900 0.56865200 0.62556600 1.0 B B69 1 0.88538000 0.56121800 0.87619400 1.0 B B70 1 0.67406200 0.55380900 0.12605100 1.0 B B71 1 0.67897000 0.56104400 0.37354300 1.0 B B72 1 0.68607800 0.56907300 0.62572700 1.0 B B73 1 0.67954400 0.56132400 0.87666900 1.0 B B74 1 0.88008100 0.33194700 0.12451300 1.0 B B75 1 0.88498000 0.34138300 0.37704900 1.0 B B76 1 0.88950100 0.34717400 0.62479800 1.0 B B77 1 0.88574900 0.33988000 0.87379800 1.0 B B78 1 0.49750300 0.50123900 0.20051000 1.0 B B79 1 0.50531100 0.51257600 0.94944600 1.0 B B80 1 0.51202200 0.51446700 0.80009300 1.0 B B81 1 0.67337000 0.12870400 0.12566400 1.0 B B82 1 0.67965000 0.13528800 0.37698600 1.0 B B83 1 0.68286000 0.14105700 0.62528900 1.0 B B84 1 0.67899700 0.13438000 0.87365800 1.0 B B85 1 0.45200200 0.33235600 0.12508600 1.0 B B86 1 0.45916300 0.34067100 0.37737300 1.0 B B87 1 0.46642300 0.34910700 0.62491100 1.0 B B88 1 0.45843900 0.34073300 0.87436500 1.0 B B89 1 0.45853100 0.13535400 0.37718800 1.0 B B90 1 0.45223300 0.12784100 0.12578300 1.0 B B91 1 0.46218800 0.14205300 0.62509400 1.0 B B92 1 0.45802900 0.13486600 0.87374400 1.0 B B93 1 0.50762200 0.01642300 0.69973000 1.0 B B94 1 0.50814800 0.01386500 0.94914800 1.0 B B95 1 0.50886800 0.01509400 0.30121500 1.0 B B96 1 0.50734300 0.01493300 0.55082000 1.0 B B97 1 0.50467100 0.01175800 0.80041900 1.0 O O98 1 0.00905300 0.01696400 0.24600000 1.0 O O99 1 0.01153800 0.01107700 0.49868300 1.0 O O100 1 0.01160800 0.01029900 0.75301600 1.0