# generated using pymatgen data_Li4Ti2Co3Ni3O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84097333 _cell_length_b 5.84097333 _cell_length_c 9.40156967 _cell_angle_alpha 87.71904150 _cell_angle_beta 87.71904150 _cell_angle_gamma 58.26004763 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Ti2Co3Ni3O16 _chemical_formula_sum 'Li4 Ti2 Co3 Ni3 O16' _cell_volume 272.49938864 _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 0.65803900 0.65803900 0.10304300 1.0 Li Li1 1 0.99969800 0.99969800 0.00539500 1.0 Li Li2 1 0.00453000 0.00453000 0.50347800 1.0 Li Li3 1 0.33246500 0.33246500 0.60616400 1.0 Ti Ti4 1 0.66966600 0.66966600 0.50452400 1.0 Ti Ti5 1 0.33072400 0.33072400 0.00429000 1.0 Co Co6 1 0.34281100 0.83355600 0.78393900 1.0 Co Co7 1 0.83355600 0.34281100 0.78393900 1.0 Co Co8 1 0.17137100 0.17137100 0.28365200 1.0 Ni Ni9 1 0.83229300 0.83229300 0.78860100 1.0 Ni Ni10 1 0.16808100 0.66284700 0.28612000 1.0 Ni Ni11 1 0.66284700 0.16808100 0.28612000 1.0 O O12 1 0.34032300 0.84682100 0.40158300 1.0 O O13 1 0.51894900 0.51894900 0.66670300 1.0 O O14 1 0.65367300 0.65367300 0.88989200 1.0 O O15 1 0.01152500 0.01152500 0.69466900 1.0 O O16 1 0.00748100 0.00748100 0.19553100 1.0 O O17 1 0.84682100 0.34032300 0.40158300 1.0 O O18 1 0.50179000 0.95960800 0.65898300 1.0 O O19 1 0.95960800 0.50179000 0.65898300 1.0 O O20 1 0.16537800 0.16537800 0.89583600 1.0 O O21 1 0.84060900 0.84060900 0.40851200 1.0 O O22 1 0.03071800 0.46908600 0.15836200 1.0 O O23 1 0.46908600 0.03071800 0.15836200 1.0 O O24 1 0.32839400 0.32839400 0.38571600 1.0 O O25 1 0.18123500 0.66837400 0.90844700 1.0 O O26 1 0.47555100 0.47555100 0.16104800 1.0 O O27 1 0.66837400 0.18123500 0.90844700 1.0