# generated using pymatgen data_Mg6ZrAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03681300 _cell_length_b 6.10683400 _cell_length_c 11.23139800 _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 345.46635634 _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 0.25070600 0.41996900 1.0 Mg Mg1 1 0.50000000 0.74929400 0.41996900 1.0 Mg Mg2 1 0.00000000 0.74837500 0.08236400 1.0 Mg Mg3 1 0.00000000 0.25162500 0.08236400 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32681800 1.0 Mg Mg5 1 0.00000000 0.50000000 0.32973300 1.0 Mg Mg6 1 0.50000000 0.75070600 0.91996900 1.0 Mg Mg7 1 0.50000000 0.24929400 0.91996900 1.0 Mg Mg8 1 0.00000000 0.24837500 0.58236400 1.0 Mg Mg9 1 0.00000000 0.75162500 0.58236400 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82681800 1.0 Mg Mg11 1 0.00000000 0.00000000 0.82973300 1.0 Zr Zr12 1 0.50000000 0.50000000 0.17235300 1.0 Zr Zr13 1 0.50000000 0.00000000 0.67235300 1.0 Al Al14 1 0.50000000 0.00000000 0.16642500 1.0 Al Al15 1 0.50000000 0.50000000 0.66642500 1.0