# generated using pymatgen data_BaMg6Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26989000 _cell_length_b 7.03991100 _cell_length_c 11.41420400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg6Ti _chemical_formula_sum 'Ba2 Mg12 Ti2' _cell_volume 423.46190711 _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 Ba Ba0 1 0.50000000 0.50000000 0.83529400 1.0 Ba Ba1 1 0.50000000 0.00000000 0.33529400 1.0 Mg Mg2 1 0.50000000 0.24995100 0.08379700 1.0 Mg Mg3 1 0.50000000 0.75004900 0.08379700 1.0 Mg Mg4 1 0.00000000 0.22012600 0.91507000 1.0 Mg Mg5 1 0.00000000 0.77987400 0.91507000 1.0 Mg Mg6 1 0.00000000 0.50000000 0.17173100 1.0 Mg Mg7 1 0.00000000 0.50000000 0.64672200 1.0 Mg Mg8 1 0.50000000 0.74995100 0.58379700 1.0 Mg Mg9 1 0.50000000 0.25004900 0.58379700 1.0 Mg Mg10 1 0.00000000 0.72012600 0.41507000 1.0 Mg Mg11 1 0.00000000 0.27987400 0.41507000 1.0 Mg Mg12 1 0.00000000 0.00000000 0.67173100 1.0 Mg Mg13 1 0.00000000 0.00000000 0.14672200 1.0 Ti Ti14 1 0.50000000 0.50000000 0.34852400 1.0 Ti Ti15 1 0.50000000 0.00000000 0.84852400 1.0