# generated using pymatgen data_Mg5Si9P3Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.65726364 _cell_length_b 12.65726362 _cell_length_c 3.87172301 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999492 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si9P3Ir19 _chemical_formula_sum 'Mg5 Si9 P3 Ir19' _cell_volume 537.17350705 _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 0.33333300 0.66666700 0.50000000 1.0 Mg Mg1 1 0.66666700 0.33333300 0.50000000 1.0 Mg Mg2 1 1.00000000 0.81957950 0.00000000 1.0 Mg Mg3 1 0.18042050 0.18042050 0.00000000 1.0 Mg Mg4 1 0.81957950 1.00000000 0.00000000 1.0 Si Si5 1 0.00000000 0.63357307 0.50000000 1.0 Si Si6 1 0.36642693 0.36642693 0.50000000 1.0 Si Si7 1 0.63357307 0.00000000 0.50000000 1.0 Si Si8 1 0.52014726 0.68540323 0.00000000 1.0 Si Si9 1 0.31459677 0.83474404 0.00000000 1.0 Si Si10 1 0.16525596 0.47985274 0.00000000 1.0 Si Si11 1 0.47985274 0.16525596 0.00000000 1.0 Si Si12 1 0.68540323 0.52014726 0.00000000 1.0 Si Si13 1 0.83474404 0.31459677 0.00000000 1.0 P P14 1 0.00000000 0.17640523 0.50000000 1.0 P P15 1 0.82359477 0.82359477 0.50000000 1.0 P P16 1 0.17640523 0.00000000 0.50000000 1.0 Ir Ir17 1 0.51070757 0.86928933 0.00000000 1.0 Ir Ir18 1 0.13071067 0.64141824 0.00000000 1.0 Ir Ir19 1 0.35858176 0.48929243 0.00000000 1.0 Ir Ir20 1 0.48929243 0.35858176 0.00000000 1.0 Ir Ir21 1 0.86928933 0.51070757 0.00000000 1.0 Ir Ir22 1 0.64141824 0.13071067 0.00000000 1.0 Ir Ir23 1 1.00000000 0.44723364 0.50000000 1.0 Ir Ir24 1 0.55276636 0.55276636 0.50000000 1.0 Ir Ir25 1 0.44723364 1.00000000 0.50000000 1.0 Ir Ir26 1 1.00000000 0.27588171 0.00000000 1.0 Ir Ir27 1 0.72411829 0.72411829 0.00000000 1.0 Ir Ir28 1 0.27588171 1.00000000 0.00000000 1.0 Ir Ir29 1 0.62900537 0.81048937 0.50000000 1.0 Ir Ir30 1 0.18951063 0.81851700 0.50000000 1.0 Ir Ir31 1 0.18148300 0.37099463 0.50000000 1.0 Ir Ir32 1 0.37099463 0.18148300 0.50000000 1.0 Ir Ir33 1 0.81048937 0.62900537 0.50000000 1.0 Ir Ir34 1 0.81851700 0.18951063 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0