# generated using pymatgen data_Mg(SiIr2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01122261 _cell_length_b 8.97754139 _cell_length_c 10.96383470 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg(SiIr2)2 _chemical_formula_sum 'Mg4 Si8 Ir16' _cell_volume 394.81774080 _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 0.25000000 0.12391609 0.82205092 1.0 Mg Mg1 1 0.25000000 0.37608391 0.32205092 1.0 Mg Mg2 1 0.75000000 0.87608391 0.17794908 1.0 Mg Mg3 1 0.75000000 0.62391609 0.67794908 1.0 Si Si4 1 0.25000000 0.41117188 0.63543338 1.0 Si Si5 1 0.25000000 0.08882812 0.13543338 1.0 Si Si6 1 0.75000000 0.58882812 0.36456662 1.0 Si Si7 1 0.75000000 0.91117188 0.86456662 1.0 Si Si8 1 0.25000000 0.61884038 0.06319365 1.0 Si Si9 1 0.25000000 0.88115962 0.56319365 1.0 Si Si10 1 0.75000000 0.38115962 0.93680635 1.0 Si Si11 1 0.75000000 0.11884038 0.43680635 1.0 Ir Ir12 1 0.25000000 0.62044101 0.50364846 1.0 Ir Ir13 1 0.25000000 0.87955899 0.00364846 1.0 Ir Ir14 1 0.75000000 0.37955899 0.49635154 1.0 Ir Ir15 1 0.75000000 0.12044101 0.99635154 1.0 Ir Ir16 1 0.25000000 0.71090656 0.26558408 1.0 Ir Ir17 1 0.25000000 0.78909344 0.76558408 1.0 Ir Ir18 1 0.75000000 0.28909344 0.73441592 1.0 Ir Ir19 1 0.75000000 0.21090656 0.23441592 1.0 Ir Ir20 1 0.25000000 0.16800991 0.56091100 1.0 Ir Ir21 1 0.25000000 0.33199009 0.06091100 1.0 Ir Ir22 1 0.75000000 0.83199009 0.43908900 1.0 Ir Ir23 1 0.75000000 0.66800991 0.93908900 1.0 Ir Ir24 1 0.25000000 0.01134822 0.33939561 1.0 Ir Ir25 1 0.25000000 0.48865178 0.83939561 1.0 Ir Ir26 1 0.75000000 0.98865178 0.66060439 1.0 Ir Ir27 1 0.75000000 0.51134822 0.16060439 1.0