# generated using pymatgen data_Mg23Al30 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.32930570 _cell_length_b 10.32930570 _cell_length_c 10.32930586 _cell_angle_alpha 76.52536109 _cell_angle_beta 76.52536109 _cell_angle_gamma 76.52536418 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg23Al30 _chemical_formula_sum 'Mg23 Al30' _cell_volume 1023.46199466 _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 0.43044700 0.80867100 0.38170600 1.0 Mg Mg1 1 0.80867100 0.38170600 0.43044700 1.0 Mg Mg2 1 0.38170600 0.43044700 0.80867100 1.0 Mg Mg3 1 0.56955300 0.19132900 0.61829400 1.0 Mg Mg4 1 0.19132900 0.61829400 0.56955300 1.0 Mg Mg5 1 0.61829400 0.56955300 0.19132900 1.0 Mg Mg6 1 0.65167100 0.94303400 0.45123400 1.0 Mg Mg7 1 0.94303400 0.45123400 0.65167100 1.0 Mg Mg8 1 0.45123400 0.65167100 0.94303400 1.0 Mg Mg9 1 0.34832900 0.05696600 0.54876600 1.0 Mg Mg10 1 0.05696600 0.54876600 0.34832900 1.0 Mg Mg11 1 0.54876600 0.34832900 0.05696600 1.0 Mg Mg12 1 0.90526700 0.08117700 0.38752800 1.0 Mg Mg13 1 0.08117700 0.38752800 0.90526700 1.0 Mg Mg14 1 0.38752800 0.90526700 0.08117700 1.0 Mg Mg15 1 0.09473300 0.91882300 0.61247200 1.0 Mg Mg16 1 0.91882300 0.61247200 0.09473300 1.0 Mg Mg17 1 0.61247200 0.09473300 0.91882300 1.0 Mg Mg18 1 0.07717800 0.07717800 0.07717800 1.0 Mg Mg19 1 0.92282200 0.92282200 0.92282200 1.0 Mg Mg20 1 0.33811600 0.33811600 0.33811600 1.0 Mg Mg21 1 0.66188400 0.66188400 0.66188400 1.0 Mg Mg22 1 0.50000000 0.50000000 0.50000000 1.0 Al Al23 1 0.08484600 0.24012700 0.49120600 1.0 Al Al24 1 0.74350200 0.66901200 0.37400100 1.0 Al Al25 1 0.37400100 0.74350200 0.66901200 1.0 Al Al26 1 0.66901200 0.37400100 0.74350200 1.0 Al Al27 1 0.25649800 0.33098800 0.62599900 1.0 Al Al28 1 0.62599900 0.25649800 0.33098800 1.0 Al Al29 1 0.33098800 0.62599900 0.25649800 1.0 Al Al30 1 0.24012700 0.49120600 0.08484600 1.0 Al Al31 1 0.49120600 0.08484600 0.24012700 1.0 Al Al32 1 0.91515400 0.75987300 0.50879400 1.0 Al Al33 1 0.75987300 0.50879400 0.91515400 1.0 Al Al34 1 0.50879400 0.91515400 0.75987300 1.0 Al Al35 1 0.21830400 0.06964600 0.31776200 1.0 Al Al36 1 0.06964600 0.31776200 0.21830400 1.0 Al Al37 1 0.31776200 0.21830400 0.06964600 1.0 Al Al38 1 0.78169600 0.93035400 0.68223800 1.0 Al Al39 1 0.93035400 0.68223800 0.78169600 1.0 Al Al40 1 0.68223800 0.78169600 0.93035400 1.0 Al Al41 1 0.14007900 0.83875100 0.33464800 1.0 Al Al42 1 0.83875100 0.33464900 0.14007900 1.0 Al Al43 1 0.33464900 0.14007900 0.83875100 1.0 Al Al44 1 0.85992100 0.16124900 0.66535200 1.0 Al Al45 1 0.16124900 0.66535200 0.85992100 1.0 Al Al46 1 0.66535100 0.85992100 0.16124900 1.0 Al Al47 1 0.14913900 0.76498500 0.09114000 1.0 Al Al48 1 0.76498500 0.09114000 0.14913900 1.0 Al Al49 1 0.09114000 0.14913900 0.76498500 1.0 Al Al50 1 0.85086100 0.23501500 0.90886000 1.0 Al Al51 1 0.23501500 0.90886000 0.85086100 1.0 Al Al52 1 0.90886000 0.85086100 0.23501500 1.0