# generated using pymatgen data_Mg3(AlIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.44546182 _cell_length_b 8.44546160 _cell_length_c 7.62948359 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000087 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3(AlIr)2 _chemical_formula_sum 'Mg12 Al8 Ir8' _cell_volume 471.27300717 _cell_formula_units_Z 4 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 0.79907189 0.20092811 0.93279758 1.0 Mg Mg1 1 0.79907189 0.59814479 0.93279758 1.0 Mg Mg2 1 0.40185521 0.20092811 0.93279758 1.0 Mg Mg3 1 0.20092811 0.79907189 0.06720242 1.0 Mg Mg4 1 0.20092811 0.40185521 0.06720242 1.0 Mg Mg5 1 0.59814479 0.79907189 0.06720242 1.0 Mg Mg6 1 0.54061700 0.45938300 0.29370856 1.0 Mg Mg7 1 0.54061700 0.08123501 0.29370856 1.0 Mg Mg8 1 0.91876499 0.45938300 0.29370856 1.0 Mg Mg9 1 0.45938300 0.54061700 0.70629144 1.0 Mg Mg10 1 0.45938300 0.91876499 0.70629144 1.0 Mg Mg11 1 0.08123501 0.54061700 0.70629144 1.0 Al Al12 1 0.17593621 0.82406379 0.42788881 1.0 Al Al13 1 0.17593621 0.35187243 0.42788881 1.0 Al Al14 1 0.64812757 0.82406379 0.42788881 1.0 Al Al15 1 0.82406379 0.17593621 0.57211119 1.0 Al Al16 1 0.82406379 0.64812757 0.57211119 1.0 Al Al17 1 0.35187243 0.17593621 0.57211119 1.0 Al Al18 1 0.00000000 0.00000000 0.50000000 1.0 Al Al19 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir20 1 0.88064903 0.11935097 0.25488084 1.0 Ir Ir21 1 0.88064903 0.76129906 0.25488084 1.0 Ir Ir22 1 0.23870094 0.11935097 0.25488084 1.0 Ir Ir23 1 0.11935097 0.88064903 0.74511916 1.0 Ir Ir24 1 0.11935097 0.23870094 0.74511916 1.0 Ir Ir25 1 0.76129906 0.88064903 0.74511916 1.0 Ir Ir26 1 0.33333300 0.66666700 0.32537851 1.0 Ir Ir27 1 0.66666700 0.33333300 0.67462149 1.0