# generated using pymatgen data_Li4Ti3(CoO3)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.82142188 _cell_length_b 24.64260320 _cell_length_c 2.87656033 _cell_angle_alpha 90.00000025 _cell_angle_beta 90.00000302 _cell_angle_gamma 90.04175185 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Ti3(CoO3)6 _chemical_formula_sum 'Li8 Ti6 Co12 O36' _cell_volume 625.31456993 _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 0.18700181 0.99326678 0.00000004 1.0 Li Li1 1 0.19088237 0.20886878 0.00000011 1.0 Li Li2 1 0.30884111 0.70837590 -0.00000001 1.0 Li Li3 1 0.31600615 0.49345126 0.99999984 1.0 Li Li4 1 0.67820558 0.50307386 0.00000033 1.0 Li Li5 1 0.68902831 0.29599427 0.00000022 1.0 Li Li6 1 0.81179374 0.79579076 0.00000012 1.0 Li Li7 1 0.81868550 0.00233995 0.00000015 1.0 Ti Ti8 1 0.01414428 0.10367423 0.00000012 1.0 Ti Ti9 1 0.48307250 0.60322443 0.00000035 1.0 Ti Ti10 1 0.51093897 0.39490729 0.00000070 1.0 Ti Ti11 1 0.65076230 0.69503277 0.50000026 1.0 Ti Ti12 1 0.84933807 0.19554976 0.50000032 1.0 Ti Ti13 1 0.99808217 0.89301900 0.99999959 1.0 Co Co14 1 0.99647838 0.50088367 0.99999963 1.0 Co Co15 1 0.03060342 0.31241208 -0.00000008 1.0 Co Co16 1 0.12964039 0.58592433 0.49999957 1.0 Co Co17 1 0.14688680 0.80509995 0.49999950 1.0 Co Co18 1 0.35199912 0.30514251 0.50000105 1.0 Co Co19 1 0.36971749 0.08614870 0.50000038 1.0 Co Co20 1 0.46908416 0.81189467 0.99999963 1.0 Co Co21 1 0.50285775 0.00080094 0.00000028 1.0 Co Co22 1 0.51112268 0.19062299 0.00000024 1.0 Co Co23 1 0.63329506 0.91436653 0.50000015 1.0 Co Co24 1 0.86849274 0.41457949 0.50000001 1.0 Co Co25 1 0.99028847 0.69142742 0.99999964 1.0 O O26 1 0.00388604 0.42598071 -0.00000003 1.0 O O27 1 0.99290535 0.57574572 0.99999947 1.0 O O28 1 0.04517965 0.94162119 0.49999990 1.0 O O29 1 0.05765599 0.16155090 0.50000024 1.0 O O30 1 0.10321293 0.66180742 0.49999959 1.0 O O31 1 0.11305618 0.75799014 0.99999949 1.0 O O32 1 0.14014285 0.50763241 0.49999943 1.0 O O33 1 0.14991090 0.28180976 0.49999974 1.0 O O34 1 0.18781050 0.85476495 0.99999953 1.0 O O35 1 0.22711655 0.08662864 0.00000035 1.0 O O36 1 0.27494501 0.58615507 0.99999958 1.0 O O37 1 0.31190922 0.35357715 0.00000137 1.0 O O38 1 0.35131764 0.78193206 0.49999949 1.0 O O39 1 0.35840746 0.00913570 0.50000032 1.0 O O40 1 0.38757805 0.25797495 -0.00000177 1.0 O O41 1 0.39566406 0.16070814 0.50000032 1.0 O O42 1 0.44300159 0.66160022 0.49999997 1.0 O O43 1 0.45225781 0.44139769 0.50000062 1.0 O O44 1 0.50558877 0.07770050 0.00000048 1.0 O O45 1 0.49757006 0.92454799 -0.00000003 1.0 O O46 1 0.53910420 0.55592639 0.50000003 1.0 O O47 1 0.55109714 0.33621148 0.49999970 1.0 O O48 1 0.58544025 0.84143813 0.49999987 1.0 O O49 1 0.60997898 0.74619714 0.00000006 1.0 O O50 1 0.64837881 0.99115670 0.50000020 1.0 O O51 1 0.63769244 0.21651136 0.50000007 1.0 O O52 1 0.68391262 0.64300642 0.99999976 1.0 O O53 1 0.71989040 0.41100048 0.00000006 1.0 O O54 1 0.77559997 0.91122706 0.00000025 1.0 O O55 1 0.81659700 0.14253676 0.00000006 1.0 O O56 1 0.86307249 0.71660600 0.49999965 1.0 O O57 1 0.85217585 0.49277260 0.49999979 1.0 O O58 1 0.89035204 0.24554934 0.00000016 1.0 O O59 1 0.91343269 0.34051507 0.50000019 1.0 O O60 1 0.94481671 0.83687495 0.49999975 1.0 O O61 1 0.96209249 0.05633850 0.50000019 1.0