# generated using pymatgen data_Mg6ZrAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93326700 _cell_length_b 6.40603400 _cell_length_c 11.02321800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrAl _chemical_formula_sum 'Mg12 Zr2 Al2' _cell_volume 348.36318840 _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 0.25102500 0.08389500 1.0 Mg Mg1 1 0.00000000 0.74897500 0.08389500 1.0 Mg Mg2 1 0.00000000 0.50000000 0.83298400 1.0 Mg Mg3 1 0.50000000 0.24676900 0.91782100 1.0 Mg Mg4 1 0.50000000 0.75323100 0.91782100 1.0 Mg Mg5 1 0.50000000 0.50000000 0.66598600 1.0 Mg Mg6 1 0.00000000 0.75102500 0.58389500 1.0 Mg Mg7 1 0.00000000 0.24897500 0.58389500 1.0 Mg Mg8 1 0.00000000 0.00000000 0.33298400 1.0 Mg Mg9 1 0.50000000 0.74676900 0.41782100 1.0 Mg Mg10 1 0.50000000 0.25323100 0.41782100 1.0 Mg Mg11 1 0.50000000 0.00000000 0.16598600 1.0 Zr Zr12 1 0.50000000 0.50000000 0.17466500 1.0 Zr Zr13 1 0.50000000 0.00000000 0.67466500 1.0 Al Al14 1 0.00000000 0.50000000 0.32293300 1.0 Al Al15 1 0.00000000 0.00000000 0.82293300 1.0