# generated using pymatgen data_MgTi11O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.04690800 _cell_length_b 7.56104700 _cell_length_c 10.59808502 _cell_angle_alpha 70.26699085 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi11O20 _chemical_formula_sum 'Mg2 Ti22 O40' _cell_volume 757.80738207 _cell_formula_units_Z 2 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 0.25000000 0.34753500 0.77175500 1.0 Mg Mg1 1 0.75000000 0.65246500 0.22824500 1.0 Ti Ti2 1 0.94102300 0.31764700 0.72685600 1.0 Ti Ti3 1 0.55897700 0.31764700 0.72685600 1.0 Ti Ti4 1 0.75000000 0.65162300 0.72972100 1.0 Ti Ti5 1 0.06092600 0.68097600 0.77487900 1.0 Ti Ti6 1 0.43907400 0.68097600 0.77487900 1.0 Ti Ti7 1 0.56096700 0.81542600 0.97680900 1.0 Ti Ti8 1 0.56092600 0.31902400 0.22512100 1.0 Ti Ti9 1 0.93903300 0.81542600 0.97680900 1.0 Ti Ti10 1 0.93907400 0.31902400 0.22512100 1.0 Ti Ti11 1 0.25000000 0.34837700 0.27027900 1.0 Ti Ti12 1 0.25000000 0.84975800 0.02037400 1.0 Ti Ti13 1 0.75000000 0.15024200 0.97962600 1.0 Ti Ti14 1 0.05897700 0.68235300 0.27314400 1.0 Ti Ti15 1 0.06096700 0.18457400 0.02319100 1.0 Ti Ti16 1 0.44102300 0.68235300 0.27314400 1.0 Ti Ti17 1 0.43903300 0.18457400 0.02319100 1.0 Ti Ti18 1 0.93892900 0.81663300 0.47446200 1.0 Ti Ti19 1 0.56107100 0.81663300 0.47446200 1.0 Ti Ti20 1 0.25000000 0.84466600 0.52355200 1.0 Ti Ti21 1 0.75000000 0.15533400 0.47644800 1.0 Ti Ti22 1 0.06107100 0.18336700 0.52553800 1.0 Ti Ti23 1 0.43892900 0.18336700 0.52553800 1.0 O O24 1 0.38578200 0.27259000 0.65905200 1.0 O O25 1 0.11421800 0.27259000 0.65905200 1.0 O O26 1 0.93014300 0.59439600 0.63887200 1.0 O O27 1 0.56985700 0.59439600 0.63887200 1.0 O O28 1 0.75000000 0.36578400 0.80007200 1.0 O O29 1 0.25000000 0.64157300 0.69880800 1.0 O O30 1 0.06692300 0.40666900 0.85966900 1.0 O O31 1 0.43307700 0.40666900 0.85966900 1.0 O O32 1 0.62041400 0.72602000 0.83838700 1.0 O O33 1 0.87958600 0.72602000 0.83838700 1.0 O O34 1 0.37958600 0.27398000 0.16161300 1.0 O O35 1 0.12041400 0.27398000 0.16161300 1.0 O O36 1 0.12063700 0.77518800 0.91159900 1.0 O O37 1 0.37936300 0.77518800 0.91159900 1.0 O O38 1 0.56906300 0.09280300 0.88985200 1.0 O O39 1 0.93093700 0.09280300 0.88985200 1.0 O O40 1 0.93307700 0.59333100 0.14033100 1.0 O O41 1 0.56692300 0.59333100 0.14033100 1.0 O O42 1 0.75000000 0.35842700 0.30119200 1.0 O O43 1 0.75000000 0.87205100 0.04461100 1.0 O O44 1 0.25000000 0.63421600 0.19992800 1.0 O O45 1 0.25000000 0.12794900 0.95538900 1.0 O O46 1 0.06985700 0.40560400 0.36112800 1.0 O O47 1 0.43014300 0.40560400 0.36112800 1.0 O O48 1 0.06906300 0.90719700 0.11014800 1.0 O O49 1 0.43093700 0.90719700 0.11014800 1.0 O O50 1 0.61421800 0.72741000 0.34094800 1.0 O O51 1 0.62063700 0.22481200 0.08840100 1.0 O O52 1 0.87936300 0.22481200 0.08840100 1.0 O O53 1 0.88578200 0.72741000 0.34094800 1.0 O O54 1 0.38005400 0.77411700 0.41190100 1.0 O O55 1 0.11994600 0.77411700 0.41190100 1.0 O O56 1 0.56904400 0.09270600 0.39094500 1.0 O O57 1 0.93095600 0.09270600 0.39094500 1.0 O O58 1 0.75000000 0.86720000 0.54908200 1.0 O O59 1 0.25000000 0.13280000 0.45091800 1.0 O O60 1 0.06904400 0.90729400 0.60905500 1.0 O O61 1 0.43095600 0.90729400 0.60905500 1.0 O O62 1 0.61994600 0.22588300 0.58809900 1.0 O O63 1 0.88005400 0.22588300 0.58809900 1.0