# generated using pymatgen data_Li4TiFe4(Co2O9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89410100 _cell_length_b 8.81679200 _cell_length_c 25.05148800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4TiFe4(Co2O9)2 _chemical_formula_sum 'Li8 Ti2 Fe8 Co8 O36' _cell_volume 639.23096676 _cell_formula_units_Z 2 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 0.50000000 0.92452700 0.99633600 1.0 Li Li1 1 0.50000000 0.95070700 0.20352300 1.0 Li Li2 1 0.50000000 0.04929300 0.70352300 1.0 Li Li3 1 0.50000000 0.07547300 0.49633600 1.0 Li Li4 1 0.50000000 0.45420900 0.52773900 1.0 Li Li5 1 0.50000000 0.44273600 0.29555600 1.0 Li Li6 1 0.50000000 0.55726400 0.79555600 1.0 Li Li7 1 0.50000000 0.54579100 0.02773900 1.0 Ti Ti8 1 0.50000000 0.24716400 0.39654900 1.0 Ti Ti9 1 0.50000000 0.75283600 0.89654900 1.0 Fe Fe10 1 0.50000000 0.77024700 0.30153700 1.0 Fe Fe11 1 0.00000000 0.89891200 0.58826800 1.0 Fe Fe12 1 0.00000000 0.10108800 0.08826800 1.0 Fe Fe13 1 0.50000000 0.22975300 0.80153700 1.0 Fe Fe14 1 0.50000000 0.26591100 0.19484900 1.0 Fe Fe15 1 0.00000000 0.39271600 0.91219200 1.0 Fe Fe16 1 0.00000000 0.60728400 0.41219200 1.0 Fe Fe17 1 0.50000000 0.73408900 0.69484900 1.0 Co Co18 1 0.50000000 0.75202100 0.50056200 1.0 Co Co19 1 0.50000000 0.75364300 0.10682700 1.0 Co Co20 1 0.00000000 0.89886200 0.80561900 1.0 Co Co21 1 0.00000000 0.10113800 0.30561900 1.0 Co Co22 1 0.50000000 0.24635700 0.60682700 1.0 Co Co23 1 0.50000000 0.24797900 0.00056200 1.0 Co Co24 1 0.00000000 0.39353900 0.69043000 1.0 Co Co25 1 0.00000000 0.60646100 0.19043000 1.0 O O26 1 0.50000000 0.75371500 0.42725700 1.0 O O27 1 0.50000000 0.74982000 0.57511300 1.0 O O28 1 0.00000000 0.81446700 0.94084800 1.0 O O29 1 0.00000000 0.79594000 0.15670400 1.0 O O30 1 0.00000000 0.86576100 0.66612600 1.0 O O31 1 0.50000000 0.84388000 0.76183400 1.0 O O32 1 0.00000000 0.89374400 0.50587000 1.0 O O33 1 0.00000000 0.90832200 0.27463000 1.0 O O34 1 0.50000000 0.94932300 0.85129800 1.0 O O35 1 0.50000000 0.94905200 0.08319900 1.0 O O36 1 0.50000000 0.05094800 0.58319900 1.0 O O37 1 0.50000000 0.05067700 0.35129800 1.0 O O38 1 0.00000000 0.09167800 0.77463000 1.0 O O39 1 0.00000000 0.10625600 0.00587000 1.0 O O40 1 0.50000000 0.15612000 0.26183400 1.0 O O41 1 0.00000000 0.13423900 0.16612600 1.0 O O42 1 0.00000000 0.20406000 0.65670400 1.0 O O43 1 0.00000000 0.18553300 0.44084800 1.0 O O44 1 0.50000000 0.25018000 0.07511300 1.0 O O45 1 0.50000000 0.24628500 0.92725700 1.0 O O46 1 0.00000000 0.30240100 0.56217400 1.0 O O47 1 0.00000000 0.29237300 0.33910300 1.0 O O48 1 0.00000000 0.35100600 0.83362900 1.0 O O49 1 0.50000000 0.34697400 0.73597200 1.0 O O50 1 0.00000000 0.39354100 0.99616400 1.0 O O51 1 0.00000000 0.40787700 0.21524100 1.0 O O52 1 0.50000000 0.43191100 0.64301900 1.0 O O53 1 0.50000000 0.45295400 0.41175500 1.0 O O54 1 0.50000000 0.54704600 0.91175500 1.0 O O55 1 0.50000000 0.56808900 0.14301900 1.0 O O56 1 0.00000000 0.59212300 0.71524100 1.0 O O57 1 0.00000000 0.60645900 0.49616400 1.0 O O58 1 0.50000000 0.65302600 0.23597200 1.0 O O59 1 0.00000000 0.64899400 0.33362900 1.0 O O60 1 0.00000000 0.70762700 0.83910300 1.0 O O61 1 0.00000000 0.69759900 0.06217400 1.0