# generated using pymatgen data_MgTi2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97947900 _cell_length_b 5.97947900 _cell_length_c 15.03251600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001103 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi2O4 _chemical_formula_sum 'Mg6 Ti12 O24' _cell_volume 465.46705490 _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 0.66666700 0.33333300 0.95534500 1.0 Mg Mg1 1 0.33333300 0.66666700 0.62392600 1.0 Mg Mg2 1 0.00000000 0.00000000 0.66146200 1.0 Mg Mg3 1 0.00000000 0.00000000 0.30146500 1.0 Mg Mg4 1 0.33333300 0.66666700 0.99901300 1.0 Mg Mg5 1 0.33333300 0.66666700 0.37126100 1.0 Ti Ti6 1 0.16113200 0.32226500 0.83467300 1.0 Ti Ti7 1 0.67773500 0.83886800 0.83467300 1.0 Ti Ti8 1 0.82768500 0.65537100 0.49937700 1.0 Ti Ti9 1 0.16113200 0.83886800 0.83467300 1.0 Ti Ti10 1 0.34462900 0.17231500 0.49937700 1.0 Ti Ti11 1 0.66666700 0.33333300 0.32209400 1.0 Ti Ti12 1 0.66666700 0.33333300 0.71178300 1.0 Ti Ti13 1 0.51210400 0.02420900 0.17162200 1.0 Ti Ti14 1 0.82768500 0.17231500 0.49937700 1.0 Ti Ti15 1 0.97579100 0.48789600 0.17162200 1.0 Ti Ti16 1 0.51210400 0.48789600 0.17162200 1.0 Ti Ti17 1 0.00000000 0.00000000 0.05009500 1.0 O O18 1 0.48862900 0.97725800 0.90899300 1.0 O O19 1 0.33333300 0.66666700 0.75838600 1.0 O O20 1 0.02274200 0.51137100 0.90899300 1.0 O O21 1 0.48862900 0.51137100 0.90899300 1.0 O O22 1 0.15532000 0.31064100 0.57492800 1.0 O O23 1 0.84044900 0.15955100 0.75028200 1.0 O O24 1 0.00000000 0.00000000 0.42996500 1.0 O O25 1 0.31910300 0.15955100 0.75028200 1.0 O O26 1 0.00000000 0.00000000 0.92415600 1.0 O O27 1 0.68935900 0.84468000 0.57492800 1.0 O O28 1 0.15532000 0.84468000 0.57492800 1.0 O O29 1 0.84044900 0.68089700 0.75028200 1.0 O O30 1 0.83083800 0.66167600 0.24957800 1.0 O O31 1 0.51310600 0.48689400 0.41730900 1.0 O O32 1 0.97378900 0.48689400 0.41730900 1.0 O O33 1 0.66666700 0.33333300 0.08613700 1.0 O O34 1 0.66666700 0.33333300 0.58515700 1.0 O O35 1 0.33832400 0.16916200 0.24957800 1.0 O O36 1 0.83083800 0.16916200 0.24957800 1.0 O O37 1 0.51310600 0.02621100 0.41730900 1.0 O O38 1 0.17389400 0.82610600 0.08704200 1.0 O O39 1 0.65221300 0.82610600 0.08704200 1.0 O O40 1 0.33333300 0.66666700 0.23814000 1.0 O O41 1 0.17389400 0.34778700 0.08704200 1.0