# generated using pymatgen data_MgTi2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01116783 _cell_length_b 6.01116783 _cell_length_c 14.93103100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999815 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi2O4 _chemical_formula_sum 'Mg6 Ti12 O24' _cell_volume 467.23798702 _cell_formula_units_Z 6 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 Mg Mg0 1 0.00000000 0.00000000 0.04515200 1.0 Mg Mg1 1 0.33333300 0.66666700 0.37140700 1.0 Mg Mg2 1 0.33333300 0.66666700 0.00344400 1.0 Mg Mg3 1 0.66666700 0.33333300 0.70490800 1.0 Mg Mg4 1 0.00000000 0.00000000 0.29213700 1.0 Mg Mg5 1 0.33333300 0.66666700 0.62578800 1.0 Ti Ti6 1 0.99010500 0.49505200 0.16684700 1.0 Ti Ti7 1 0.50494800 0.00989500 0.16684700 1.0 Ti Ti8 1 0.33406400 0.16703200 0.49975900 1.0 Ti Ti9 1 0.50494800 0.49505200 0.16684700 1.0 Ti Ti10 1 0.66666700 0.33333300 0.34039000 1.0 Ti Ti11 1 0.83296800 0.66593600 0.49975900 1.0 Ti Ti12 1 0.67650300 0.83825100 0.83055100 1.0 Ti Ti13 1 0.83296800 0.16703200 0.49975900 1.0 Ti Ti14 1 0.16174900 0.83825100 0.83055100 1.0 Ti Ti15 1 0.00000000 0.00000000 0.66553900 1.0 Ti Ti16 1 0.16174900 0.32349700 0.83055100 1.0 Ti Ti17 1 0.66666700 0.33333300 0.95298900 1.0 O O18 1 0.17842200 0.35684400 0.09144100 1.0 O O19 1 0.33333300 0.66666700 0.23951200 1.0 O O20 1 0.17842200 0.82157800 0.09144100 1.0 O O21 1 0.64315600 0.82157800 0.09144100 1.0 O O22 1 0.35963900 0.17982000 0.24961000 1.0 O O23 1 0.50865800 0.01731500 0.41961400 1.0 O O24 1 0.82018000 0.17982000 0.24961000 1.0 O O25 1 0.66666700 0.33333300 0.08078500 1.0 O O26 1 0.50865800 0.49134200 0.41961400 1.0 O O27 1 0.66666700 0.33333300 0.57372700 1.0 O O28 1 0.82018000 0.64036100 0.24961000 1.0 O O29 1 0.98268500 0.49134200 0.41961400 1.0 O O30 1 0.68923300 0.84461700 0.58055000 1.0 O O31 1 0.84202600 0.68405200 0.75109500 1.0 O O32 1 0.15538300 0.84461700 0.58055000 1.0 O O33 1 0.00000000 0.00000000 0.42509400 1.0 O O34 1 0.00000000 0.00000000 0.91078700 1.0 O O35 1 0.84202600 0.15797400 0.75109500 1.0 O O36 1 0.15538300 0.31076700 0.58055000 1.0 O O37 1 0.31594800 0.15797400 0.75109500 1.0 O O38 1 0.01368300 0.50684200 0.91360000 1.0 O O39 1 0.33333300 0.66666700 0.75871000 1.0 O O40 1 0.49315800 0.50684200 0.91360000 1.0 O O41 1 0.49315800 0.98631700 0.91360000 1.0