# generated using pymatgen data_Li2TiFeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88180863 _cell_length_b 5.90162993 _cell_length_c 9.27840932 _cell_angle_alpha 89.13168544 _cell_angle_beta 108.27779202 _cell_angle_gamma 94.19006403 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TiFeO4 _chemical_formula_sum 'Li8 Ti4 Fe4 O16' _cell_volume 304.99728349 _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 0.87451600 0.75062500 0.25178000 1.0 Li Li1 1 0.37401400 0.24997200 0.25233900 1.0 Li Li2 1 0.13075600 0.74584100 0.75576600 1.0 Li Li3 1 0.63121000 0.24444800 0.75638200 1.0 Li Li4 1 0.52247100 0.98915300 0.03222400 1.0 Li Li5 1 0.02386900 0.48710000 0.03200600 1.0 Li Li6 1 0.72851400 0.00922800 0.46965200 1.0 Li Li7 1 0.22801500 0.50941700 0.46993500 1.0 Ti Ti8 1 0.24468100 0.02947800 0.50043400 1.0 Ti Ti9 1 0.73879900 0.53325400 0.49693100 1.0 Ti Ti10 1 0.52208000 0.46817800 0.01165500 1.0 Ti Ti11 1 0.02447000 0.97072300 0.01140800 1.0 Fe Fe12 1 0.37404300 0.74984400 0.25101000 1.0 Fe Fe13 1 0.62798200 0.74716200 0.75681900 1.0 Fe Fe14 1 0.87459800 0.24953800 0.25153100 1.0 Fe Fe15 1 0.11923100 0.25179200 0.74818300 1.0 O O16 1 0.12196900 0.99926100 0.24638000 1.0 O O17 1 0.62257500 0.49956700 0.24797100 1.0 O O18 1 0.36227300 0.98936000 0.71022600 1.0 O O19 1 0.84452200 0.50432400 0.70980600 1.0 O O20 1 0.99123300 0.74169600 0.49145900 1.0 O O21 1 0.49159100 0.24175000 0.49122700 1.0 O O22 1 0.01508500 0.23593700 0.50290200 1.0 O O23 1 0.51268500 0.73860600 0.50086900 1.0 O O24 1 0.62538900 0.99922600 0.25152900 1.0 O O25 1 0.12443900 0.49983500 0.25170800 1.0 O O26 1 0.89769000 0.01067400 0.79447100 1.0 O O27 1 0.38483000 0.49808500 0.79508300 1.0 O O28 1 0.73461400 0.26252000 0.00115900 1.0 O O29 1 0.23420300 0.76224200 0.00110700 1.0 O O30 1 0.75084300 0.75313700 0.00761400 1.0 O O31 1 0.25482100 0.25212900 0.01230900 1.0