# generated using pymatgen data_Li3Ti7O14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.36027400 _cell_length_b 10.36027400 _cell_length_c 13.37758567 _cell_angle_alpha 82.57022968 _cell_angle_beta 82.57022968 _cell_angle_gamma 48.17478060 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ti7O14 _chemical_formula_sum 'Li12 Ti28 O56' _cell_volume 1059.20964598 _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 0.19682300 0.94525500 0.03670000 1.0 Li Li1 1 0.08925600 0.33927500 0.10687400 1.0 Li Li2 1 0.76664500 0.51790300 0.32111100 1.0 Li Li3 1 0.48209700 0.23335500 0.17888900 1.0 Li Li4 1 0.94525500 0.19682300 0.53670000 1.0 Li Li5 1 0.66072500 0.91074400 0.39312600 1.0 Li Li6 1 0.33927500 0.08925600 0.60687400 1.0 Li Li7 1 0.05474500 0.80317700 0.46330000 1.0 Li Li8 1 0.51790300 0.76664500 0.82111100 1.0 Li Li9 1 0.23335500 0.48209700 0.67888900 1.0 Li Li10 1 0.91074400 0.66072500 0.89312600 1.0 Li Li11 1 0.80317700 0.05474500 0.96330000 1.0 Ti Ti12 1 0.78184300 0.28960900 0.14373100 1.0 Ti Ti13 1 0.64176100 0.64123100 0.07285900 1.0 Ti Ti14 1 0.50000000 0.00000000 0.00000000 1.0 Ti Ti15 1 0.42775700 0.92737100 0.21504100 1.0 Ti Ti16 1 0.07399100 0.06735400 0.28541100 1.0 Ti Ti17 1 0.78539000 0.78704000 0.14236700 1.0 Ti Ti18 1 0.50000000 0.50000000 0.00000000 1.0 Ti Ti19 1 0.14434000 0.64291500 0.07270800 1.0 Ti Ti20 1 0.35708500 0.85566000 0.42729200 1.0 Ti Ti21 1 0.21296000 0.21461000 0.35763300 1.0 Ti Ti22 1 0.93264600 0.92600900 0.21458900 1.0 Ti Ti23 1 0.07262900 0.57224300 0.28495900 1.0 Ti Ti24 1 0.00000000 0.50000000 0.50000000 1.0 Ti Ti25 1 0.64123100 0.64176100 0.57285900 1.0 Ti Ti26 1 0.35876900 0.35823900 0.42714100 1.0 Ti Ti27 1 0.71039100 0.21815700 0.35626900 1.0 Ti Ti28 1 0.28960900 0.78184300 0.64373100 1.0 Ti Ti29 1 0.06735400 0.07399100 0.78541100 1.0 Ti Ti30 1 0.92737100 0.42775700 0.71504100 1.0 Ti Ti31 1 0.78704000 0.78539000 0.64236700 1.0 Ti Ti32 1 0.64291500 0.14434000 0.57270800 1.0 Ti Ti33 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti34 1 0.92600900 0.93264600 0.71458900 1.0 Ti Ti35 1 0.21461000 0.21296000 0.85763300 1.0 Ti Ti36 1 0.57224300 0.07262900 0.78495900 1.0 Ti Ti37 1 0.85566000 0.35708500 0.92729200 1.0 Ti Ti38 1 0.35823900 0.35876900 0.92714100 1.0 Ti Ti39 1 0.21815700 0.71039100 0.85626900 1.0 O O40 1 0.74516400 0.26908200 0.00389500 1.0 O O41 1 0.87336100 0.39821200 0.06770300 1.0 O O42 1 0.55595200 0.52427500 0.12934000 1.0 O O43 1 0.01876500 0.04576400 0.15357000 1.0 O O44 1 0.73343900 0.75942900 0.01093900 1.0 O O45 1 0.41285300 0.88760700 0.07495200 1.0 O O46 1 0.66974000 0.69500900 0.20337800 1.0 O O47 1 0.82760000 0.30095500 0.28206100 1.0 O O48 1 0.54107400 0.01614000 0.13910200 1.0 O O49 1 0.38341400 0.40859000 0.06068200 1.0 O O50 1 0.02960900 0.55562800 0.14644300 1.0 O O51 1 0.90151500 0.87719300 0.08184700 1.0 O O52 1 0.31441500 0.84616100 0.29027300 1.0 O O53 1 0.18758800 0.16279400 0.22498400 1.0 O O54 1 0.12280700 0.09848500 0.41815300 1.0 O O55 1 0.83720600 0.81241200 0.27501600 1.0 O O56 1 0.15383900 0.68558500 0.20972700 1.0 O O57 1 0.44437200 0.97039100 0.35355700 1.0 O O58 1 0.30499100 0.33026000 0.29662200 1.0 O O59 1 0.59141000 0.61658600 0.43931800 1.0 O O60 1 0.98386000 0.45892600 0.36089800 1.0 O O61 1 0.26908200 0.74516400 0.50389500 1.0 O O62 1 0.69904500 0.17240000 0.21793900 1.0 O O63 1 0.52427500 0.55595200 0.62934000 1.0 O O64 1 0.24057100 0.26656100 0.48906100 1.0 O O65 1 0.95423600 0.98123500 0.34643000 1.0 O O66 1 0.39821200 0.87336100 0.56770300 1.0 O O67 1 0.11239300 0.58714700 0.42504800 1.0 O O68 1 0.88760700 0.41285300 0.57495200 1.0 O O69 1 0.47572500 0.44404800 0.37066000 1.0 O O70 1 0.04576400 0.01876500 0.65357000 1.0 O O71 1 0.60178800 0.12663900 0.43229700 1.0 O O72 1 0.75942900 0.73343900 0.51093900 1.0 O O73 1 0.30095500 0.82760000 0.78206100 1.0 O O74 1 0.69500900 0.66974000 0.70337800 1.0 O O75 1 0.01614000 0.54107400 0.63910200 1.0 O O76 1 0.73091800 0.25483600 0.49610500 1.0 O O77 1 0.40859000 0.38341400 0.56068200 1.0 O O78 1 0.55562800 0.02960900 0.64644300 1.0 O O79 1 0.84616100 0.31441600 0.79027300 1.0 O O80 1 0.16279400 0.18758800 0.72498400 1.0 O O81 1 0.87719300 0.90151500 0.58184700 1.0 O O82 1 0.09848500 0.12280700 0.91815300 1.0 O O83 1 0.97039100 0.44437200 0.85355700 1.0 O O84 1 0.68558400 0.15383900 0.70972700 1.0 O O85 1 0.81241200 0.83720600 0.77501600 1.0 O O86 1 0.61658600 0.59141000 0.93931800 1.0 O O87 1 0.45892600 0.98386000 0.86089800 1.0 O O88 1 0.33026000 0.30499100 0.79662200 1.0 O O89 1 0.17240000 0.69904500 0.71793900 1.0 O O90 1 0.26656100 0.24057100 0.98906100 1.0 O O91 1 0.58714700 0.11239300 0.92504800 1.0 O O92 1 0.98123500 0.95423600 0.84643000 1.0 O O93 1 0.12663900 0.60178800 0.93229700 1.0 O O94 1 0.44404800 0.47572500 0.87066000 1.0 O O95 1 0.25483600 0.73091800 0.99610500 1.0