# generated using pymatgen data_Li13Ti28O56 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.36488264 _cell_length_b 10.36488264 _cell_length_c 10.36488284 _cell_angle_alpha 99.53996137 _cell_angle_beta 99.53996137 _cell_angle_gamma 99.53996257 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li13Ti28O56 _chemical_formula_sum 'Li13 Ti28 O56' _cell_volume 1061.33706863 _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 0.87524200 0.30275700 0.01769800 1.0 Li Li1 1 0.12502100 0.55362200 0.26783200 1.0 Li Li2 1 0.55362200 0.26783200 0.12502100 1.0 Li Li3 1 0.01769800 0.87524200 0.30275700 1.0 Li Li4 1 0.58928400 0.16051400 0.44632600 1.0 Li Li5 1 0.44632600 0.58928400 0.16051400 1.0 Li Li6 1 0.69652600 0.83941400 0.41074000 1.0 Li Li7 1 0.83941400 0.41074000 0.69652600 1.0 Li Li8 1 0.26783200 0.12502100 0.55362200 1.0 Li Li9 1 0.30275700 0.01769800 0.87524200 1.0 Li Li10 1 0.73283000 0.73283000 0.73283000 1.0 Li Li11 1 0.16051400 0.44632600 0.58928400 1.0 Li Li12 1 0.41074000 0.69652600 0.83941400 1.0 Ti Ti13 1 0.92955000 0.64494500 0.99957000 1.0 Ti Ti14 1 0.64316700 0.49991600 0.92926300 1.0 Ti Ti15 1 0.07156300 0.21303300 0.28368200 1.0 Ti Ti16 1 0.78643100 0.07041700 0.21229100 1.0 Ti Ti17 1 0.78538500 0.57118600 0.21373100 1.0 Ti Ti18 1 0.71567400 0.78744900 0.07085500 1.0 Ti Ti19 1 0.64494500 0.99957000 0.92955000 1.0 Ti Ti20 1 0.21303300 0.28368200 0.07156300 1.0 Ti Ti21 1 0.28368200 0.07156300 0.21303300 1.0 Ti Ti22 1 0.85731900 0.35681200 0.35752500 1.0 Ti Ti23 1 0.14330700 0.50001700 0.92841300 1.0 Ti Ti24 1 0.92841300 0.14330700 0.50001700 1.0 Ti Ti25 1 0.21229100 0.78643100 0.07041700 1.0 Ti Ti26 1 0.50001700 0.92841300 0.14330700 1.0 Ti Ti27 1 0.07041700 0.21229100 0.78643100 1.0 Ti Ti28 1 0.78744900 0.07085500 0.71567400 1.0 Ti Ti29 1 0.92926300 0.64316700 0.49991600 1.0 Ti Ti30 1 0.35688000 0.35688000 0.35688000 1.0 Ti Ti31 1 0.64302200 0.50009600 0.42858400 1.0 Ti Ti32 1 0.35752500 0.85731900 0.35681200 1.0 Ti Ti33 1 0.42858400 0.64302200 0.50009600 1.0 Ti Ti34 1 0.50009600 0.42858400 0.64302200 1.0 Ti Ti35 1 0.57118600 0.21373100 0.78538500 1.0 Ti Ti36 1 0.99957000 0.92955000 0.64494500 1.0 Ti Ti37 1 0.07085500 0.71567400 0.78744900 1.0 Ti Ti38 1 0.49991600 0.92926300 0.64316700 1.0 Ti Ti39 1 0.35681200 0.35752500 0.85731900 1.0 Ti Ti40 1 0.21373100 0.78538500 0.57118600 1.0 O O41 1 0.05188500 0.32340900 0.95861800 1.0 O O42 1 0.12308600 0.12308600 0.12308600 1.0 O O43 1 0.10557600 0.61221000 0.09129100 1.0 O O44 1 0.53392100 0.32694400 0.94815300 1.0 O O45 1 0.04277500 0.80107400 0.96220900 1.0 O O46 1 0.61221000 0.09129100 0.10557600 1.0 O O47 1 0.81572300 0.48027300 0.03745000 1.0 O O48 1 0.89435600 0.24470200 0.19483800 1.0 O O49 1 0.95861800 0.05188500 0.32340900 1.0 O O50 1 0.76621700 0.18041500 0.38743100 1.0 O O51 1 0.88025300 0.73728200 0.16615800 1.0 O O52 1 0.45183500 0.02298700 0.30888800 1.0 O O53 1 0.62327500 0.60870400 0.10166900 1.0 O O54 1 0.02298700 0.30888800 0.45183500 1.0 O O55 1 0.30888800 0.45183500 0.02298700 1.0 O O56 1 0.69107400 0.40534600 0.26252600 1.0 O O57 1 0.54769000 0.83368100 0.97666200 1.0 O O58 1 0.09129100 0.10557600 0.61221000 1.0 O O59 1 0.94815300 0.53392100 0.32694400 1.0 O O60 1 0.80107400 0.96220900 0.04277500 1.0 O O61 1 0.37740100 0.24872200 0.18422300 1.0 O O62 1 0.75552900 0.66245900 0.39116200 1.0 O O63 1 0.96220900 0.04277500 0.80107400 1.0 O O64 1 0.24872200 0.18422300 0.37740100 1.0 O O65 1 0.81971900 0.46991100 0.51966500 1.0 O O66 1 0.89822000 0.23438800 0.67662100 1.0 O O67 1 0.18422300 0.37740100 0.24872200 1.0 O O68 1 0.67662100 0.89822000 0.23438800 1.0 O O69 1 0.60870400 0.10166900 0.62327500 1.0 O O70 1 0.03745000 0.81572300 0.48027300 1.0 O O71 1 0.46608100 0.53023700 0.33758500 1.0 O O72 1 0.38743100 0.76621700 0.18041500 1.0 O O73 1 0.32340900 0.95861800 0.05188500 1.0 O O74 1 0.10166900 0.62327500 0.60870400 1.0 O O75 1 0.53023700 0.33758500 0.46608100 1.0 O O76 1 0.73728200 0.16615800 0.88025300 1.0 O O77 1 0.90884300 0.75148000 0.67274600 1.0 O O78 1 0.19483800 0.89435600 0.24470200 1.0 O O79 1 0.33758500 0.46608100 0.53023700 1.0 O O80 1 0.48027300 0.03745000 0.81572300 1.0 O O81 1 0.59469500 0.59469500 0.59469500 1.0 O O82 1 0.51966500 0.81971900 0.46991100 1.0 O O83 1 0.40534600 0.26252600 0.69107400 1.0 O O84 1 0.26252600 0.69107400 0.40534600 1.0 O O85 1 0.83368100 0.97666200 0.54769000 1.0 O O86 1 0.97666200 0.54769000 0.83368100 1.0 O O87 1 0.66245900 0.39116200 0.75552900 1.0 O O88 1 0.39116200 0.75552900 0.66245900 1.0 O O89 1 0.46991100 0.51966500 0.81971900 1.0 O O90 1 0.32694400 0.94815300 0.53392100 1.0 O O91 1 0.67274600 0.90884300 0.75148000 1.0 O O92 1 0.18041500 0.38743100 0.76621700 1.0 O O93 1 0.24470200 0.19483800 0.89435600 1.0 O O94 1 0.75148000 0.67274600 0.90884300 1.0 O O95 1 0.16615800 0.88025300 0.73728200 1.0 O O96 1 0.23438800 0.67662100 0.89822000 1.0