# generated using pymatgen data_MgTi2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08526050 _cell_length_b 5.92496916 _cell_length_c 18.00193207 _cell_angle_alpha 60.42244272 _cell_angle_beta 60.68075681 _cell_angle_gamma 60.87855243 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi2O4 _chemical_formula_sum 'Mg6 Ti12 O24' _cell_volume 465.78425823 _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 0.13070600 0.12864100 0.03732300 1.0 Mg Mg1 1 0.50011500 0.50280500 0.33138700 1.0 Mg Mg2 1 0.99582000 0.50471300 0.16488100 1.0 Mg Mg3 1 0.50648600 0.49089100 0.67058400 1.0 Mg Mg4 1 0.00258800 0.49826100 0.50031200 1.0 Mg Mg5 1 0.01713700 0.49194300 0.83296800 1.0 Ti Ti6 1 0.49390700 0.03062600 0.16192600 1.0 Ti Ti7 1 0.12283100 0.11946300 0.37940800 1.0 Ti Ti8 1 0.49601100 0.51173000 0.99350600 1.0 Ti Ti9 1 0.49395500 0.48989700 0.16179300 1.0 Ti Ti10 1 0.50060500 0.98554500 0.50003900 1.0 Ti Ti11 1 0.12337400 0.12089000 0.71156600 1.0 Ti Ti12 1 0.50054800 0.51367000 0.50006500 1.0 Ti Ti13 1 0.50029200 0.96789600 0.84035100 1.0 Ti Ti14 1 0.88064400 0.88138600 0.28555800 1.0 Ti Ti15 1 0.50022700 0.51077500 0.84043700 1.0 Ti Ti16 1 0.87068700 0.87889200 0.62384500 1.0 Ti Ti17 1 0.85193200 0.87708500 0.96466300 1.0 O O18 1 0.26357900 0.25739100 0.08491300 1.0 O O19 1 0.24781000 0.25138700 0.24994000 1.0 O O20 1 0.26328400 0.72434000 0.08496700 1.0 O O21 1 0.73932600 0.26022500 0.08000300 1.0 O O22 1 0.25838000 0.25141000 0.42017600 1.0 O O23 1 0.26069100 0.74998700 0.24646900 1.0 O O24 1 0.25044600 0.25091100 0.58256200 1.0 O O25 1 0.73966200 0.26782200 0.24563100 1.0 O O26 1 0.25850400 0.72976300 0.42011400 1.0 O O27 1 0.73516800 0.74435400 0.09200800 1.0 O O28 1 0.73819400 0.25267200 0.41879600 1.0 O O29 1 0.73956000 0.75569800 0.24563800 1.0 O O30 1 0.26198400 0.24412200 0.75239400 1.0 O O31 1 0.25205200 0.74738600 0.58437900 1.0 O O32 1 0.74032700 0.26829200 0.58018100 1.0 O O33 1 0.26196800 0.73667300 0.75240400 1.0 O O34 1 0.27860200 0.25418800 0.90438000 1.0 O O35 1 0.75584300 0.74988700 0.41473500 1.0 O O36 1 0.74676500 0.24573200 0.75392500 1.0 O O37 1 0.74032700 0.75080800 0.58015900 1.0 O O38 1 0.22309600 0.75450400 0.92268300 1.0 O O39 1 0.75163200 0.26289800 0.91466800 1.0 O O40 1 0.75334200 0.74278900 0.75361900 1.0 O O41 1 0.75159500 0.74165200 0.91464300 1.0