# generated using pymatgen data_Mg16Al12O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.04976306 _cell_length_b 9.04976306 _cell_length_c 9.04976260 _cell_angle_alpha 108.64947640 _cell_angle_beta 108.64947640 _cell_angle_gamma 108.64947812 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16Al12O _chemical_formula_sum 'Mg16 Al12 O1' _cell_volume 587.26175683 _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 0.46334600 0.46334600 0.69523900 1.0 Mg Mg1 1 0.00632100 0.00632100 0.33553400 1.0 Mg Mg2 1 0.70128400 0.70128400 0.29033000 1.0 Mg Mg3 1 0.80549600 0.80549600 0.80549600 1.0 Mg Mg4 1 0.69523900 0.46334600 0.46334600 1.0 Mg Mg5 1 0.59356900 0.33048300 0.00298600 1.0 Mg Mg6 1 0.33048300 0.00298600 0.59356900 1.0 Mg Mg7 1 0.33553400 0.00632100 0.00632100 1.0 Mg Mg8 1 0.00298600 0.59356900 0.33048300 1.0 Mg Mg9 1 0.70128400 0.29033000 0.70128400 1.0 Mg Mg10 1 0.29033000 0.70128400 0.70128400 1.0 Mg Mg11 1 0.59356900 0.00298600 0.33048300 1.0 Mg Mg12 1 0.00632100 0.33553400 0.00632100 1.0 Mg Mg13 1 0.00298600 0.33048300 0.59356900 1.0 Mg Mg14 1 0.33048300 0.59356900 0.00298600 1.0 Mg Mg15 1 0.46334600 0.69523900 0.46334600 1.0 Al Al16 1 0.20368200 0.20368200 0.80206800 1.0 Al Al17 1 0.35376500 0.35376500 0.16105100 1.0 Al Al18 1 0.02635000 0.83576200 0.64049000 1.0 Al Al19 1 0.35376500 0.16105100 0.35376500 1.0 Al Al20 1 0.83576200 0.64049000 0.02635000 1.0 Al Al21 1 0.02635000 0.64049000 0.83576200 1.0 Al Al22 1 0.20368200 0.80206800 0.20368200 1.0 Al Al23 1 0.80206800 0.20368200 0.20368200 1.0 Al Al24 1 0.64049000 0.02635000 0.83576200 1.0 Al Al25 1 0.64049000 0.83576200 0.02635000 1.0 Al Al26 1 0.16105100 0.35376500 0.35376500 1.0 Al Al27 1 0.83576200 0.02635000 0.64049000 1.0 O O28 1 0.59422400 0.59422400 0.59422400 1.0