# generated using pymatgen data_MgTi2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.00887469 _cell_length_b 6.00896406 _cell_length_c 8.48869933 _cell_angle_alpha 89.99780749 _cell_angle_beta 90.00347349 _cell_angle_gamma 89.99996418 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi2O4 _chemical_formula_sum 'Mg4 Ti8 O16' _cell_volume 306.50241714 _cell_formula_units_Z 4 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 0.24535469 0.75466614 0.74988245 1.0 Mg Mg1 1 0.75470743 0.24548241 0.25015113 1.0 Mg Mg2 1 0.25450054 0.25462736 0.50019184 1.0 Mg Mg3 1 0.74542105 0.74538197 -0.00015905 1.0 Ti Ti4 1 0.49171866 0.25247805 0.88036842 1.0 Ti Ti5 1 0.50804772 0.74757034 0.38028874 1.0 Ti Ti6 1 0.75239024 0.00806740 0.63025665 1.0 Ti Ti7 1 0.24757006 0.99177806 0.13037572 1.0 Ti Ti8 1 0.74754882 0.50814715 0.61971399 1.0 Ti Ti9 1 0.25247473 0.49176767 0.11963654 1.0 Ti Ti10 1 0.00830890 0.75243188 0.36963393 1.0 Ti Ti11 1 0.99194991 0.24760393 0.86973331 1.0 O O12 1 0.98787864 0.25662256 0.63161692 1.0 O O13 1 0.01197352 0.74329735 0.13160732 1.0 O O14 1 0.75665821 0.51210142 0.38169344 1.0 O O15 1 0.24334827 0.48811118 0.88152621 1.0 O O16 1 0.74343136 0.01210907 0.86832349 1.0 O O17 1 0.25657467 0.98805737 0.36851564 1.0 O O18 1 0.51203916 0.75654287 0.61844349 1.0 O O19 1 0.48806170 0.24341485 0.11843134 1.0 O O20 1 0.74558821 0.48052163 0.86476900 1.0 O O21 1 0.25439360 0.51937982 0.36490614 1.0 O O22 1 0.98050819 0.75438713 0.61483398 1.0 O O23 1 0.01945200 0.24557078 0.11484870 1.0 O O24 1 0.51951061 0.25440622 0.63511216 1.0 O O25 1 0.48056564 0.74551966 0.13508563 1.0 O O26 1 0.75446833 0.98048576 0.38514717 1.0 O O27 1 0.24555316 0.01946797 0.88506768 1.0