# generated using pymatgen data_MgTiNbO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16685030 _cell_length_b 5.15838847 _cell_length_c 5.15839016 _cell_angle_alpha 131.88221128 _cell_angle_beta 131.94729411 _cell_angle_gamma 70.33059738 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTiNbO4 _chemical_formula_sum 'Mg1 Ti1 Nb1 O4' _cell_volume 74.62333103 _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 0.49058500 0.49146900 0.99911600 1.0 Ti Ti1 1 0.74289800 0.24143900 0.50145900 1.0 Nb Nb2 1 0.99071600 0.99150900 0.99920700 1.0 O O3 1 0.49016600 0.99100500 0.49916100 1.0 O O4 1 0.25029700 0.24943400 0.00086400 1.0 O O5 1 0.99136800 0.49202600 0.49934200 1.0 O O6 1 0.73444500 0.73359300 0.00085200 1.0