# generated using pymatgen data_MgTi23O40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.37034832 _cell_length_b 11.37034832 _cell_length_c 7.62038554 _cell_angle_alpha 80.33674700 _cell_angle_beta 80.33674700 _cell_angle_gamma 124.38578725 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTi23O40 _chemical_formula_sum 'Mg1 Ti23 O40' _cell_volume 758.58236693 _cell_formula_units_Z 1 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 0.57158500 0.57158500 0.40101400 1.0 Ti Ti1 1 0.83701300 0.64487400 0.06907200 1.0 Ti Ti2 1 0.83717900 0.64423200 0.56507100 1.0 Ti Ti3 1 0.57322500 0.57322500 0.90129500 1.0 Ti Ti4 1 0.35483900 0.66246400 0.93323800 1.0 Ti Ti5 1 0.35575400 0.66577600 0.43177500 1.0 Ti Ti6 1 0.14495700 0.33721000 0.06653800 1.0 Ti Ti7 1 0.14759500 0.33542200 0.56648000 1.0 Ti Ti8 1 0.33542200 0.14759500 0.56648000 1.0 Ti Ti9 1 0.33721000 0.14495700 0.06653800 1.0 Ti Ti10 1 0.92881100 0.43037100 0.59887400 1.0 Ti Ti11 1 0.92905300 0.43017800 0.09727600 1.0 Ti Ti12 1 0.07072700 0.07072700 0.90330700 1.0 Ti Ti13 1 0.07045800 0.07045800 0.40079700 1.0 Ti Ti14 1 0.66577600 0.35575400 0.43177500 1.0 Ti Ti15 1 0.66246400 0.35483900 0.93323800 1.0 Ti Ti16 1 0.85120200 0.16295700 0.43351000 1.0 Ti Ti17 1 0.85279800 0.16137900 0.93413400 1.0 Ti Ti18 1 0.64487400 0.83701300 0.06907200 1.0 Ti Ti19 1 0.64423200 0.83717900 0.56507100 1.0 Ti Ti20 1 0.43037100 0.92881100 0.59887400 1.0 Ti Ti21 1 0.43017800 0.92905300 0.09727600 1.0 Ti Ti22 1 0.16137900 0.85279800 0.93413400 1.0 Ti Ti23 1 0.16295700 0.85120200 0.43351000 1.0 O O24 1 0.78054200 0.59620100 0.84318100 1.0 O O25 1 0.77959800 0.59605400 0.34366800 1.0 O O26 1 0.64778300 0.64778300 0.62267800 1.0 O O27 1 0.64700900 0.64700900 0.10444300 1.0 O O28 1 0.39790700 0.71978600 0.15684000 1.0 O O29 1 0.40121600 0.72246200 0.65759600 1.0 O O30 1 0.35149500 0.48970100 0.47710900 1.0 O O31 1 0.36158300 0.49067100 0.97472800 1.0 O O32 1 0.49067100 0.36158300 0.97472800 1.0 O O33 1 0.48970100 0.35149500 0.47710900 1.0 O O34 1 0.01325100 0.63954500 0.52422900 1.0 O O35 1 0.01226000 0.63939300 0.02423100 1.0 O O36 1 0.13994600 0.51011300 0.02414800 1.0 O O37 1 0.14170000 0.50939200 0.52552200 1.0 O O38 1 0.28106800 0.09881400 0.34347400 1.0 O O39 1 0.28130300 0.09847600 0.84170500 1.0 O O40 1 0.09881400 0.28106800 0.34347400 1.0 O O41 1 0.09847600 0.28130300 0.84170500 1.0 O O42 1 0.14082900 0.14082900 0.11690400 1.0 O O43 1 0.14144300 0.14144300 0.61681100 1.0 O O44 1 0.86311300 0.36051800 0.38149200 1.0 O O45 1 0.85869400 0.35926600 0.88334700 1.0 O O46 1 0.90226300 0.22399600 0.65627300 1.0 O O47 1 0.89880400 0.21978800 0.15736300 1.0 O O48 1 0.71978600 0.39790700 0.15684000 1.0 O O49 1 0.72246200 0.40121600 0.65759600 1.0 O O50 1 0.85900100 0.99084800 0.47651100 1.0 O O51 1 0.86064000 0.98990500 0.97470600 1.0 O O52 1 0.99084800 0.85900100 0.47651100 1.0 O O53 1 0.98990500 0.86064000 0.97470600 1.0 O O54 1 0.51011300 0.13994600 0.02414800 1.0 O O55 1 0.50939200 0.14170000 0.52552200 1.0 O O56 1 0.63939300 0.01226000 0.02423100 1.0 O O57 1 0.63954500 0.01325100 0.52422900 1.0 O O58 1 0.59620100 0.78054200 0.84318100 1.0 O O59 1 0.59605400 0.77959800 0.34366800 1.0 O O60 1 0.36051800 0.86311300 0.38149200 1.0 O O61 1 0.35926600 0.85869400 0.88334700 1.0 O O62 1 0.22399600 0.90226300 0.65627300 1.0 O O63 1 0.21978800 0.89880400 0.15736300 1.0