# generated using pymatgen data_Mg5Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.63744870 _cell_length_b 12.63745006 _cell_length_c 3.93086295 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000155 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si12Ir19 _chemical_formula_sum 'Mg5 Si12 Ir19' _cell_volume 543.67252409 _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 0.00000000 0.82509240 0.50000000 1.0 Mg Mg1 1 0.17490760 0.17490760 0.50000000 1.0 Mg Mg2 1 0.82509240 0.00000000 0.50000000 1.0 Mg Mg3 1 0.33333300 0.66666700 0.00000000 1.0 Mg Mg4 1 0.66666700 0.33333300 0.00000000 1.0 Si Si5 1 0.00000000 0.17944948 0.00000000 1.0 Si Si6 1 0.82055052 0.82055052 0.00000000 1.0 Si Si7 1 0.17944948 0.00000000 0.00000000 1.0 Si Si8 1 0.52061930 0.68758703 0.50000000 1.0 Si Si9 1 0.31241297 0.83303227 0.50000000 1.0 Si Si10 1 0.16696773 0.47938070 0.50000000 1.0 Si Si11 1 0.47938070 0.16696773 0.50000000 1.0 Si Si12 1 0.68758703 0.52061930 0.50000000 1.0 Si Si13 1 0.83303227 0.31241297 0.50000000 1.0 Si Si14 1 0.00000000 0.63212971 0.00000000 1.0 Si Si15 1 0.36787029 0.36787029 0.00000000 1.0 Si Si16 1 0.63212971 0.00000000 0.00000000 1.0 Ir Ir17 1 0.00000000 0.27866105 0.50000000 1.0 Ir Ir18 1 0.72133895 0.72133895 0.50000000 1.0 Ir Ir19 1 0.27866105 0.00000000 0.50000000 1.0 Ir Ir20 1 0.62394983 0.80873106 0.00000000 1.0 Ir Ir21 1 0.19126894 0.81521877 0.00000000 1.0 Ir Ir22 1 0.18478123 0.37605017 0.00000000 1.0 Ir Ir23 1 0.37605017 0.18478123 0.00000000 1.0 Ir Ir24 1 0.80873106 0.62394983 0.00000000 1.0 Ir Ir25 1 0.81521877 0.19126894 0.00000000 1.0 Ir Ir26 1 0.51005118 0.87106857 0.50000000 1.0 Ir Ir27 1 0.12893143 0.63898361 0.50000000 1.0 Ir Ir28 1 0.36101639 0.48994882 0.50000000 1.0 Ir Ir29 1 0.48994882 0.36101639 0.50000000 1.0 Ir Ir30 1 0.87106857 0.51005118 0.50000000 1.0 Ir Ir31 1 0.63898361 0.12893143 0.50000000 1.0 Ir Ir32 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir33 1 0.00000000 0.44677650 0.00000000 1.0 Ir Ir34 1 0.55322350 0.55322350 0.00000000 1.0 Ir Ir35 1 0.44677650 0.00000000 0.00000000 1.0