# generated using pymatgen data_Mg2Ti9O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15086127 _cell_length_b 5.15086127 _cell_length_c 16.56438530 _cell_angle_alpha 81.06098511 _cell_angle_beta 81.06098511 _cell_angle_gamma 33.28917417 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Ti9O13 _chemical_formula_sum 'Mg2 Ti9 O13' _cell_volume 238.01956419 _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 0.78350400 0.78350400 0.22679400 1.0 Mg Mg1 1 0.21649600 0.21649600 0.77320600 1.0 Ti Ti2 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti3 1 0.34498100 0.34498100 0.03616200 1.0 Ti Ti4 1 0.65501900 0.65501900 0.96383800 1.0 Ti Ti5 1 0.23611400 0.23611400 0.42512700 1.0 Ti Ti6 1 0.76388600 0.76388600 0.57487300 1.0 Ti Ti7 1 0.06687300 0.06687300 0.11727600 1.0 Ti Ti8 1 0.93312700 0.93312700 0.88272400 1.0 Ti Ti9 1 0.00911500 0.00911500 0.33545400 1.0 Ti Ti10 1 0.99088500 0.99088500 0.66454600 1.0 O O11 1 0.00000000 0.00000000 0.00000000 1.0 O O12 1 0.12903400 0.12903400 0.22968600 1.0 O O13 1 0.87096600 0.87096600 0.77031400 1.0 O O14 1 0.71394400 0.71394400 0.08819200 1.0 O O15 1 0.28605600 0.28605600 0.91180800 1.0 O O16 1 0.41689500 0.41689500 0.14827700 1.0 O O17 1 0.58310500 0.58310500 0.85172300 1.0 O O18 1 0.37113700 0.37113700 0.31136700 1.0 O O19 1 0.62886300 0.62886300 0.68863300 1.0 O O20 1 0.62716400 0.62716400 0.37674200 1.0 O O21 1 0.37283600 0.37283600 0.62325800 1.0 O O22 1 0.87723800 0.87723800 0.45055700 1.0 O O23 1 0.12276200 0.12276200 0.54944300 1.0