# generated using pymatgen data_Mg2TiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98006395 _cell_length_b 5.98006395 _cell_length_c 8.39822540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TiO4 _chemical_formula_sum 'Mg8 Ti4 O16' _cell_volume 300.33032294 _cell_formula_units_Z 4 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 -0.00000000 0.24761863 -0.00000000 1.0 Mg Mg1 1 -0.00000000 0.75238137 0.50000000 1.0 Mg Mg2 1 0.24761863 0.00000000 0.75000000 1.0 Mg Mg3 1 0.25214257 0.25214257 0.37500000 1.0 Mg Mg4 1 0.25214257 0.74785743 0.12500000 1.0 Mg Mg5 1 0.74785743 0.25214257 0.62500000 1.0 Mg Mg6 1 0.74785743 0.74785743 0.87500000 1.0 Mg Mg7 1 0.75238137 0.00000000 0.25000000 1.0 Ti Ti8 1 0.23705089 0.50000000 0.75000000 1.0 Ti Ti9 1 0.50000000 0.23705089 -0.00000000 1.0 Ti Ti10 1 0.50000000 0.76294911 0.50000000 1.0 Ti Ti11 1 0.76294911 0.50000000 0.25000000 1.0 O O12 1 0.02621378 0.26215916 0.75249523 1.0 O O13 1 0.02621378 0.73784084 0.74750477 1.0 O O14 1 0.26046845 0.48283289 0.98376965 1.0 O O15 1 0.26046845 0.51716711 0.51623035 1.0 O O16 1 0.26215916 0.02621378 0.99750477 1.0 O O17 1 0.26215916 0.97378622 0.50249523 1.0 O O18 1 0.48283289 0.26046845 0.76623035 1.0 O O19 1 0.48283289 0.73953155 0.73376965 1.0 O O20 1 0.51716711 0.26046845 0.23376965 1.0 O O21 1 0.51716711 0.73953155 0.26623035 1.0 O O22 1 0.73784084 0.97378622 0.49750477 1.0 O O23 1 0.73784084 0.02621378 0.00249523 1.0 O O24 1 0.73953155 0.48283289 0.01623035 1.0 O O25 1 0.73953155 0.51716711 0.48376965 1.0 O O26 1 0.97378622 0.26215916 0.24750477 1.0 O O27 1 0.97378622 0.73784084 0.25249523 1.0