# generated using pymatgen data_LiTiO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76340880 _cell_length_b 8.74184285 _cell_length_c 10.49871194 _cell_angle_alpha 114.68237442 _cell_angle_beta 80.63749331 _cell_angle_gamma 101.25832630 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTiO2 _chemical_formula_sum 'Li16 Ti16 O32' _cell_volume 632.31692441 _cell_formula_units_Z 16 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 0.09313900 0.99122900 0.25746600 1.0 Li Li1 1 0.23371200 0.59985200 0.75589200 1.0 Li Li2 1 0.64657800 0.77735400 0.99215000 1.0 Li Li3 1 0.49126600 0.85258000 0.51115500 1.0 Li Li4 1 0.24833300 0.91910200 0.74396700 1.0 Li Li5 1 0.15256500 0.28124200 0.49913700 1.0 Li Li6 1 0.58670800 0.48918600 0.76122700 1.0 Li Li7 1 0.50119400 0.16557000 0.49951700 1.0 Li Li8 1 0.40308600 0.52299400 0.23750400 1.0 Li Li9 1 0.83676700 0.74046500 0.51900800 1.0 Li Li10 1 0.74862300 0.41468000 0.24856300 1.0 Li Li11 1 0.75669500 0.76498600 0.24566100 1.0 Li Li12 1 0.33861900 0.24206600 0.01410800 1.0 Li Li13 1 0.90572100 0.02630800 0.74172600 1.0 Li Li14 1 0.73717400 0.10432200 0.25706300 1.0 Li Li15 1 0.99108900 0.35837300 0.01249700 1.0 Ti Ti16 1 0.31133300 0.89305100 0.99429500 1.0 Ti Ti17 1 0.17047500 0.95526000 0.50475200 1.0 Ti Ti18 1 0.30999900 0.55279900 0.98694200 1.0 Ti Ti19 1 0.17290100 0.62290600 0.49881900 1.0 Ti Ti20 1 0.56215300 0.80302600 0.74298000 1.0 Ti Ti21 1 0.07794800 0.65426100 0.25917100 1.0 Ti Ti22 1 0.41599300 0.87033900 0.26104200 1.0 Ti Ti23 1 0.91854100 0.71400400 0.77148000 1.0 Ti Ti24 1 0.06645300 0.30498000 0.24499400 1.0 Ti Ti25 1 0.56644900 0.14635300 0.74986400 1.0 Ti Ti26 1 0.91779400 0.37190900 0.76168200 1.0 Ti Ti27 1 0.41823100 0.21422000 0.26529400 1.0 Ti Ti28 1 0.81794600 0.39707000 0.49939000 1.0 Ti Ti29 1 0.68292900 0.46511800 0.00971700 1.0 Ti Ti30 1 0.82692500 0.06279500 0.49758200 1.0 Ti Ti31 1 0.67449700 0.12305400 0.00308300 1.0 O O32 1 0.12229000 0.81028200 0.87610500 1.0 O O33 1 0.04137000 0.83167400 0.63265300 1.0 O O34 1 0.44332300 0.67824800 0.86811400 1.0 O O35 1 0.03850100 0.49531100 0.62747100 1.0 O O36 1 0.12613400 0.45670600 0.87233800 1.0 O O37 1 0.77205700 0.90684700 0.87266600 1.0 O O38 1 0.69824600 0.93516800 0.62219200 1.0 O O39 1 0.30938100 0.73659400 0.37629200 1.0 O O40 1 0.37182800 0.71447200 0.62537900 1.0 O O41 1 0.02547600 0.16008000 0.62318400 1.0 O O42 1 0.47071500 0.36326500 0.88889200 1.0 O O43 1 0.20785200 0.77719900 0.13066500 1.0 O O44 1 0.53722000 0.99354900 0.12616200 1.0 O O45 1 0.62811800 0.95872100 0.36965200 1.0 O O46 1 0.78957100 0.58689500 0.88327900 1.0 O O47 1 0.27511300 0.40657200 0.37272000 1.0 O O48 1 0.71628300 0.61252000 0.63679600 1.0 O O49 1 0.19685800 0.43532500 0.12179600 1.0 O O50 1 0.37194000 0.05328200 0.62879200 1.0 O O51 1 0.44370500 0.02797200 0.88006600 1.0 O O52 1 0.79784200 0.24013200 0.87822900 1.0 O O53 1 0.53250100 0.66118300 0.12229300 1.0 O O54 1 0.95408500 0.85883700 0.37662400 1.0 O O55 1 0.61833400 0.30302700 0.38158300 1.0 O O56 1 0.69499300 0.27839600 0.62965200 1.0 O O57 1 0.29235000 0.08802700 0.38548600 1.0 O O58 1 0.21520200 0.11087200 0.13483300 1.0 O O59 1 0.85899000 0.55706900 0.14019100 1.0 O O60 1 0.94233400 0.52842200 0.38064100 1.0 O O61 1 0.54254300 0.33158900 0.13541700 1.0 O O62 1 0.94927900 0.18180000 0.37060500 1.0 O O63 1 0.87074300 0.21373800 0.12584000 1.0