# generated using pymatgen data_Li2Ti3CrO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00124487 _cell_length_b 10.34972481 _cell_length_c 10.31781496 _cell_angle_alpha 99.57989439 _cell_angle_beta 106.70310427 _cell_angle_gamma 89.59733035 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Ti3CrO8 _chemical_formula_sum 'Li8 Ti12 Cr4 O32' _cell_volume 604.68761101 _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 0.25062900 0.75024400 0.50009400 1.0 Li Li1 1 0.00062700 0.00019800 0.00009900 1.0 Li Li2 1 0.75063600 0.25024000 0.50009500 1.0 Li Li3 1 0.50063100 0.50026000 0.00011200 1.0 Li Li4 1 0.81185000 0.93723700 0.62488800 1.0 Li Li5 1 0.56188400 0.18726100 0.12491300 1.0 Li Li6 1 0.31185700 0.43726500 0.62487500 1.0 Li Li7 1 0.06188600 0.68728800 0.12492000 1.0 Ti Ti8 1 0.28134900 0.09366200 0.56249000 1.0 Ti Ti9 1 0.03124000 0.34375300 0.06252400 1.0 Ti Ti10 1 0.78119700 0.59385000 0.56244000 1.0 Ti Ti11 1 0.53121400 0.84373100 0.06255800 1.0 Ti Ti12 1 0.40615200 0.96901300 0.81217000 1.0 Ti Ti13 1 0.15651200 0.21839700 0.31296600 1.0 Ti Ti14 1 0.90610600 0.46906700 0.81199800 1.0 Ti Ti15 1 0.65624000 0.71851300 0.31286700 1.0 Ti Ti16 1 0.15644300 0.21836800 0.81176100 1.0 Ti Ti17 1 0.90602800 0.46917000 0.31326700 1.0 Ti Ti18 1 0.65637400 0.71851500 0.81182500 1.0 Ti Ti19 1 0.40615300 0.96895100 0.31315100 1.0 Cr Cr20 1 0.65595700 0.21855600 0.81233100 1.0 Cr Cr21 1 0.90659800 0.96895200 0.31266500 1.0 Cr Cr22 1 0.40646700 0.46891700 0.31264800 1.0 Cr Cr23 1 0.15599600 0.71858700 0.81237900 1.0 O O24 1 0.12093900 0.04029200 0.69420100 1.0 O O25 1 0.87123300 0.29051500 0.19355200 1.0 O O26 1 0.62107900 0.54025100 0.69421000 1.0 O O27 1 0.37105400 0.79038700 0.19351300 1.0 O O28 1 0.19125700 0.39704400 0.93145000 1.0 O O29 1 0.94155500 0.64719500 0.43082300 1.0 O O30 1 0.69136800 0.89702000 0.93139600 1.0 O O31 1 0.44150700 0.14729200 0.43083900 1.0 O O32 1 0.56923000 0.03915400 0.69314100 1.0 O O33 1 0.31842100 0.28935200 0.19269200 1.0 O O34 1 0.06911800 0.53916600 0.69311800 1.0 O O35 1 0.81858000 0.78933600 0.19276300 1.0 O O36 1 0.34343000 0.26516500 0.69323300 1.0 O O37 1 0.09310400 0.51459700 0.19257000 1.0 O O38 1 0.84350200 0.76512700 0.69314400 1.0 O O39 1 0.59323200 0.01466200 0.19262300 1.0 O O40 1 0.45573200 0.15195300 0.91828900 1.0 O O41 1 0.20573400 0.40184800 0.41818600 1.0 O O42 1 0.95568800 0.65186600 0.91825300 1.0 O O43 1 0.70592900 0.90184000 0.41823200 1.0 O O44 1 0.85674000 0.28568300 0.70681100 1.0 O O45 1 0.60677300 0.53557100 0.20673000 1.0 O O46 1 0.35670000 0.78565700 0.70679900 1.0 O O47 1 0.10669500 0.03558000 0.20669200 1.0 O O48 1 0.96940600 0.17289000 0.93239700 1.0 O O49 1 0.71903300 0.42237800 0.43182800 1.0 O O50 1 0.46930900 0.67286700 0.93238800 1.0 O O51 1 0.21898500 0.92231300 0.43181400 1.0 O O52 1 0.74409500 0.39818600 0.93228100 1.0 O O53 1 0.49330500 0.64829500 0.43190000 1.0 O O54 1 0.24391200 0.89814300 0.93223300 1.0 O O55 1 0.99333000 0.14837700 0.43186600 1.0