# generated using pymatgen data_Li3Mg3Ti6O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47632400 _cell_length_b 8.47363000 _cell_length_c 8.47438500 _cell_angle_alpha 89.99930361 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Mg3Ti6O16 _chemical_formula_sum 'Li6 Mg6 Ti12 O32' _cell_volume 608.67468001 _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 0.37518500 0.12541400 0.87578600 1.0 Li Li1 1 0.87518500 0.87458600 0.12421400 1.0 Li Li2 1 0.49799600 0.74806900 0.00180500 1.0 Li Li3 1 0.62472000 0.62514000 0.62530300 1.0 Li Li4 1 0.12472000 0.37486000 0.37469700 1.0 Li Li5 1 0.99799600 0.25193100 0.99819500 1.0 Mg Mg6 1 0.50167800 0.24809300 0.49816700 1.0 Mg Mg7 1 0.75249000 0.00155300 0.74989800 1.0 Mg Mg8 1 0.25249000 0.99844700 0.25010200 1.0 Mg Mg9 1 0.00167800 0.75190700 0.50183300 1.0 Mg Mg10 1 0.24858900 0.50246500 0.75399300 1.0 Mg Mg11 1 0.74858900 0.49753500 0.24600700 1.0 Ti Ti12 1 0.13032000 0.13154600 0.62953400 1.0 Ti Ti13 1 0.88213800 0.12739700 0.36386000 1.0 Ti Ti14 1 0.62594700 0.11675000 0.11619800 1.0 Ti Ti15 1 0.12594700 0.88325000 0.88380200 1.0 Ti Ti16 1 0.38213800 0.87260300 0.63614000 1.0 Ti Ti17 1 0.63032000 0.86845400 0.37046600 1.0 Ti Ti18 1 0.86634300 0.62824200 0.87803300 1.0 Ti Ti19 1 0.12262300 0.61993000 0.12866600 1.0 Ti Ti20 1 0.37474900 0.61947800 0.37629700 1.0 Ti Ti21 1 0.87474900 0.38052200 0.62370300 1.0 Ti Ti22 1 0.62262300 0.38007000 0.87133400 1.0 Ti Ti23 1 0.36634300 0.37175800 0.12196700 1.0 O O24 1 0.39043200 0.14261200 0.12843200 1.0 O O25 1 0.88744200 0.13704500 0.61258400 1.0 O O26 1 0.62685100 0.13836400 0.89257200 1.0 O O27 1 0.85800300 0.12630500 0.14434100 1.0 O O28 1 0.10723500 0.12116500 0.38934900 1.0 O O29 1 0.35756600 0.11068400 0.62180300 1.0 O O30 1 0.63762500 0.11316600 0.36355900 1.0 O O31 1 0.12319500 0.10587300 0.85758900 1.0 O O32 1 0.62319500 0.89412700 0.14241100 1.0 O O33 1 0.13762500 0.88683400 0.63644100 1.0 O O34 1 0.85756600 0.88931600 0.37819700 1.0 O O35 1 0.60723500 0.87883500 0.61065100 1.0 O O36 1 0.35800300 0.87369500 0.85565900 1.0 O O37 1 0.12685100 0.86163600 0.10742800 1.0 O O38 1 0.38744200 0.86295500 0.38741600 1.0 O O39 1 0.89043200 0.85738800 0.87156800 1.0 O O40 1 0.61236400 0.64154700 0.37343600 1.0 O O41 1 0.11277700 0.63838900 0.88761900 1.0 O O42 1 0.37191400 0.63991000 0.60786600 1.0 O O43 1 0.13807400 0.62768900 0.35830600 1.0 O O44 1 0.89172600 0.62394000 0.11104600 1.0 O O45 1 0.64294400 0.60947200 0.87608000 1.0 O O46 1 0.36180000 0.61098900 0.13942500 1.0 O O47 1 0.87727400 0.60803000 0.63805600 1.0 O O48 1 0.37727400 0.39197000 0.36194400 1.0 O O49 1 0.86180000 0.38901100 0.86057500 1.0 O O50 1 0.14294400 0.39052800 0.12392000 1.0 O O51 1 0.39172600 0.37606000 0.88895400 1.0 O O52 1 0.63807400 0.37231100 0.64169400 1.0 O O53 1 0.87191400 0.36009000 0.39213400 1.0 O O54 1 0.61277700 0.36161100 0.11238100 1.0 O O55 1 0.11236400 0.35845300 0.62656400 1.0