# generated using pymatgen data_Li24Ti5Cr7O36 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04865400 _cell_length_b 5.06000124 _cell_length_c 28.93585695 _cell_angle_alpha 89.69597343 _cell_angle_beta 89.72273793 _cell_angle_gamma 60.08247704 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li24Ti5Cr7O36 _chemical_formula_sum 'Li24 Ti5 Cr7 O36' _cell_volume 640.68720020 _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 0.49169000 0.16959100 0.33326100 1.0 Li Li1 1 0.49863900 0.16844100 0.08341300 1.0 Li Li2 1 0.17885000 0.49113700 0.16654700 1.0 Li Li3 1 0.49675100 0.83632200 0.66668300 1.0 Li Li4 1 0.50188000 0.83432300 0.41662800 1.0 Li Li5 1 0.49244100 0.83545300 0.16676500 1.0 Li Li6 1 0.18333600 0.16205700 0.49992200 1.0 Li Li7 1 0.49671200 0.50018400 0.00015100 1.0 Li Li8 1 0.49853400 0.49800100 0.75000700 1.0 Li Li9 1 0.48920200 0.50376200 0.49992800 1.0 Li Li10 1 0.82418100 0.83488700 0.00029000 1.0 Li Li11 1 0.17542600 0.82089000 0.83315100 1.0 Li Li12 1 0.49985100 0.16683200 0.83334600 1.0 Li Li13 1 0.18074600 0.82580100 0.33311900 1.0 Li Li14 1 0.82516100 0.50617200 0.33342800 1.0 Li Li15 1 0.18180200 0.49753900 0.66675900 1.0 Li Li16 1 0.82068400 0.16710500 0.66667900 1.0 Li Li17 1 0.82468600 0.17720600 0.16672500 1.0 Li Li18 1 0.18028700 0.16336300 0.00018000 1.0 Li Li19 1 0.50084800 0.49993000 0.24995600 1.0 Li Li20 1 0.82450600 0.83487100 0.49993900 1.0 Li Li21 1 0.49667600 0.16891800 0.58329400 1.0 Li Li22 1 0.82489800 0.51203100 0.83357100 1.0 Li Li23 1 0.50169100 0.83542000 0.91675600 1.0 Ti Ti24 1 0.83140600 0.83545500 0.24994000 1.0 Ti Ti25 1 0.83852700 0.49641500 0.58346300 1.0 Ti Ti26 1 0.83298500 0.16401400 0.91639800 1.0 Ti Ti27 1 0.83219700 0.16403600 0.41642500 1.0 Ti Ti28 1 0.16688800 0.16956600 0.75019900 1.0 Cr Cr29 1 0.16345800 0.16708600 0.24991800 1.0 Cr Cr30 1 0.16208500 0.83617100 0.58315800 1.0 Cr Cr31 1 0.83037800 0.50539100 0.08346700 1.0 Cr Cr32 1 0.16717900 0.50211000 0.91716300 1.0 Cr Cr33 1 0.83279300 0.83118000 0.74971100 1.0 Cr Cr34 1 0.16327000 0.83335200 0.08326400 1.0 Cr Cr35 1 0.16645700 0.50225900 0.41677500 1.0 O O36 1 0.49976900 0.14445600 0.21114200 1.0 O O37 1 0.49375300 0.86038700 0.28815600 1.0 O O38 1 0.49572200 0.81095400 0.54535700 1.0 O O39 1 0.14584500 0.52483900 0.04573100 1.0 O O40 1 0.14593600 0.49565000 0.28706400 1.0 O O41 1 0.49521700 0.52662600 0.62137700 1.0 O O42 1 0.86004900 0.80266900 0.12080000 1.0 O O43 1 0.49225700 0.47899800 0.87867000 1.0 O O44 1 0.14614200 0.19354200 0.37943800 1.0 O O45 1 0.14284500 0.16944900 0.62150200 1.0 O O46 1 0.13804700 0.17011600 0.12055400 1.0 O O47 1 0.85982000 0.49542800 0.21233900 1.0 O O48 1 0.50428500 0.18582400 0.95597200 1.0 O O49 1 0.85999800 0.47759400 0.45408100 1.0 O O50 1 0.14047000 0.85536700 0.71270000 1.0 O O51 1 0.14615500 0.85991300 0.21229100 1.0 O O52 1 0.14856300 0.82282900 0.95430200 1.0 O O53 1 0.14782700 0.82315500 0.45394700 1.0 O O54 1 0.86302900 0.15784400 0.54559700 1.0 O O55 1 0.86535200 0.16380500 0.04607900 1.0 O O56 1 0.85427600 0.13995400 0.78728700 1.0 O O57 1 0.85720500 0.14282700 0.28769000 1.0 O O58 1 0.14419300 0.52013200 0.54524100 1.0 O O59 1 0.50638200 0.80070400 0.04536500 1.0 O O60 1 0.14753200 0.49605500 0.78794600 1.0 O O61 1 0.85288900 0.83709800 0.87890300 1.0 O O62 1 0.85393800 0.83672000 0.37845500 1.0 O O63 1 0.86234000 0.81278200 0.62080300 1.0 O O64 1 0.49276000 0.52996300 0.12164600 1.0 O O65 1 0.14583000 0.19342600 0.87948800 1.0 O O66 1 0.49241800 0.47917100 0.37837700 1.0 O O67 1 0.85271900 0.51065100 0.71241900 1.0 O O68 1 0.86094600 0.47716900 0.95422600 1.0 O O69 1 0.50347000 0.18566700 0.45548800 1.0 O O70 1 0.49691800 0.14716000 0.71105900 1.0 O O71 1 0.50800500 0.85380100 0.78812800 1.0