# generated using pymatgen data_Mg2TiNb2O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.99156961 _cell_length_b 9.99156961 _cell_length_c 5.22821309 _cell_angle_alpha 89.77542175 _cell_angle_beta 89.77542175 _cell_angle_gamma 34.74356536 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2TiNb2O8 _chemical_formula_sum 'Mg4 Ti2 Nb4 O16' _cell_volume 297.45353051 _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 0.86502500 0.58965600 0.75599600 1.0 Mg Mg1 1 0.41034400 0.13497500 0.74400400 1.0 Mg Mg2 1 0.13497500 0.41034400 0.24400400 1.0 Mg Mg3 1 0.58965600 0.86502500 0.25599600 1.0 Ti Ti4 1 0.62954600 0.37045400 0.75000000 1.0 Ti Ti5 1 0.37045400 0.62954600 0.25000000 1.0 Nb Nb6 1 0.02506600 0.74339300 0.74003100 1.0 Nb Nb7 1 0.25660700 0.97493400 0.75996900 1.0 Nb Nb8 1 0.97493400 0.25660700 0.25996900 1.0 Nb Nb9 1 0.74339300 0.02506600 0.24003100 1.0 O O10 1 0.06882100 0.79982300 0.09592200 1.0 O O11 1 0.20017700 0.93117900 0.40407800 1.0 O O12 1 0.93117900 0.20017700 0.90407800 1.0 O O13 1 0.79982300 0.06882100 0.59592200 1.0 O O14 1 0.31635000 0.57410900 0.58147900 1.0 O O15 1 0.42589100 0.68365000 0.91852100 1.0 O O16 1 0.68365000 0.42589100 0.41852100 1.0 O O17 1 0.57410900 0.31635000 0.08147900 1.0 O O18 1 0.91254900 0.71610900 0.43678800 1.0 O O19 1 0.28389100 0.08745100 0.06321200 1.0 O O20 1 0.45620100 0.16323400 0.37328500 1.0 O O21 1 0.83676600 0.54379900 0.12671500 1.0 O O22 1 0.54379900 0.83676600 0.62671500 1.0 O O23 1 0.16323400 0.45620100 0.87328500 1.0 O O24 1 0.71610900 0.91254900 0.93678800 1.0 O O25 1 0.08745100 0.28389100 0.56321200 1.0