# generated using pymatgen data_Mg6TiMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77464200 _cell_length_b 6.01936400 _cell_length_c 11.08216400 _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 318.50480852 _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 0.00000000 0.25887700 0.07537300 1.0 Mg Mg1 1 0.00000000 0.74112300 0.07537300 1.0 Mg Mg2 1 0.00000000 0.00000000 0.32947800 1.0 Mg Mg3 1 0.50000000 0.74329400 0.42407100 1.0 Mg Mg4 1 0.50000000 0.25670600 0.42407100 1.0 Mg Mg5 1 0.50000000 0.00000000 0.17241100 1.0 Mg Mg6 1 0.00000000 0.75887700 0.57537300 1.0 Mg Mg7 1 0.00000000 0.24112300 0.57537300 1.0 Mg Mg8 1 0.00000000 0.50000000 0.82947800 1.0 Mg Mg9 1 0.50000000 0.24329400 0.92407100 1.0 Mg Mg10 1 0.50000000 0.75670600 0.92407100 1.0 Mg Mg11 1 0.50000000 0.50000000 0.67241100 1.0 Ti Ti12 1 0.00000000 0.50000000 0.29989600 1.0 Ti Ti13 1 0.00000000 0.00000000 0.79989600 1.0 Mo Mo14 1 0.50000000 0.50000000 0.19932700 1.0 Mo Mo15 1 0.50000000 0.00000000 0.69932700 1.0