# generated using pymatgen data_MgTi2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11674491 _cell_length_b 6.11674491 _cell_length_c 20.01517986 _cell_angle_alpha 80.00902656 _cell_angle_beta 80.00902656 _cell_angle_gamma 57.92629140 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi2O4 _chemical_formula_sum 'Mg8 Ti16 O32' _cell_volume 621.95709389 _cell_formula_units_Z 8 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 0.66093100 0.66093100 0.03058800 1.0 Mg Mg1 1 0.11790900 0.11790900 0.12320300 1.0 Mg Mg2 1 0.90675400 0.90675400 0.27970300 1.0 Mg Mg3 1 0.37805500 0.37805500 0.37391100 1.0 Mg Mg4 1 0.62440300 0.62440300 0.62509600 1.0 Mg Mg5 1 0.50197900 0.50197900 0.49843900 1.0 Mg Mg6 1 0.86665800 0.86665800 0.87488000 1.0 Mg Mg7 1 0.74486700 0.74486700 0.75284900 1.0 Ti Ti8 1 0.61875200 0.13175600 0.12712000 1.0 Ti Ti9 1 0.25421600 0.25421600 0.24751300 1.0 Ti Ti10 1 0.13175600 0.61875200 0.12712000 1.0 Ti Ti11 1 0.15480400 0.15480400 0.53394500 1.0 Ti Ti12 1 0.90186100 0.36147100 0.37041500 1.0 Ti Ti13 1 0.59860700 0.59860700 0.22096900 1.0 Ti Ti14 1 0.40622200 0.40622200 0.78426200 1.0 Ti Ti15 1 0.36147100 0.90186100 0.37041500 1.0 Ti Ti16 1 0.11785400 0.63188700 0.62498300 1.0 Ti Ti17 1 0.84474400 0.84474400 0.46432300 1.0 Ti Ti18 1 0.63188700 0.11785400 0.62498300 1.0 Ti Ti19 1 0.89143600 0.34881300 0.88024400 1.0 Ti Ti20 1 0.34881300 0.89143600 0.88024400 1.0 Ti Ti21 1 0.09549700 0.09549700 0.71708500 1.0 Ti Ti22 1 0.00561400 0.00561400 0.99685000 1.0 Ti Ti23 1 0.35029200 0.35029200 0.97252100 1.0 O O24 1 0.28675600 0.81133100 0.06311300 1.0 O O25 1 0.93392900 0.93392900 0.18033000 1.0 O O26 1 0.81133100 0.28675600 0.06311300 1.0 O O27 1 0.82550400 0.82550400 0.06472900 1.0 O O28 1 0.44540200 0.44540200 0.18896400 1.0 O O29 1 0.53920500 0.07030200 0.31419400 1.0 O O30 1 0.43159100 0.95037100 0.18541700 1.0 O O31 1 0.18763800 0.18763800 0.43611000 1.0 O O32 1 0.07030200 0.53920500 0.31419400 1.0 O O33 1 0.30746300 0.30746300 0.06864900 1.0 O O34 1 0.06816000 0.06816000 0.31044800 1.0 O O35 1 0.95037100 0.43159100 0.18541700 1.0 O O36 1 0.79583100 0.31551100 0.56511900 1.0 O O37 1 0.68535000 0.68535000 0.43513900 1.0 O O38 1 0.68964500 0.20140100 0.43450800 1.0 O O39 1 0.43785700 0.43785700 0.68694100 1.0 O O40 1 0.31551100 0.79583100 0.56511900 1.0 O O41 1 0.56236500 0.56236500 0.31746600 1.0 O O42 1 0.31600200 0.31600200 0.56342500 1.0 O O43 1 0.20140100 0.68964500 0.43450800 1.0 O O44 1 0.93540100 0.93540100 0.68736800 1.0 O O45 1 0.05228300 0.55922600 0.81410500 1.0 O O46 1 0.93548500 0.45327900 0.68497800 1.0 O O47 1 0.68237000 0.68237000 0.92905800 1.0 O O48 1 0.55922600 0.05228300 0.81410500 1.0 O O49 1 0.81226800 0.81226800 0.56189800 1.0 O O50 1 0.56198900 0.56198900 0.81560500 1.0 O O51 1 0.45327900 0.93548500 0.68497800 1.0 O O52 1 0.19628500 0.19628500 0.94241400 1.0 O O53 1 0.17557100 0.69963900 0.93602600 1.0 O O54 1 0.05915300 0.05915300 0.81487400 1.0 O O55 1 0.69963900 0.17557100 0.93602600 1.0