# generated using pymatgen data_Mg6TiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97674600 _cell_length_b 5.78214800 _cell_length_c 11.08833600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6TiMo _chemical_formula_sum 'Mg12 Ti2 Mo2' _cell_volume 319.08108288 _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 0.50000000 0.24935900 0.42323500 1.0 Mg Mg1 1 0.50000000 0.75064100 0.42323500 1.0 Mg Mg2 1 0.00000000 0.74319300 0.08597700 1.0 Mg Mg3 1 0.00000000 0.25680700 0.08597700 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32106300 1.0 Mg Mg5 1 0.00000000 0.50000000 0.31626300 1.0 Mg Mg6 1 0.50000000 0.74935900 0.92323500 1.0 Mg Mg7 1 0.50000000 0.25064100 0.92323500 1.0 Mg Mg8 1 0.00000000 0.24319300 0.58597700 1.0 Mg Mg9 1 0.00000000 0.75680700 0.58597700 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82106300 1.0 Mg Mg11 1 0.00000000 0.00000000 0.81626300 1.0 Ti Ti12 1 0.50000000 0.00000000 0.17076500 1.0 Ti Ti13 1 0.50000000 0.50000000 0.67076500 1.0 Mo Mo14 1 0.50000000 0.50000000 0.17348000 1.0 Mo Mo15 1 0.50000000 0.00000000 0.67348000 1.0