# generated using pymatgen data_Sr2Lu3Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.78285661 _cell_length_b 12.78285773 _cell_length_c 3.97126635 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000217 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Lu3Si12Ir19 _chemical_formula_sum 'Sr2 Lu3 Si12 Ir19' _cell_volume 561.97307796 _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 Sr Sr0 1 0.33333300 0.66666700 0.00000000 1.0 Sr Sr1 1 0.66666700 0.33333300 0.00000000 1.0 Lu Lu2 1 1.00000000 0.81779285 0.50000000 1.0 Lu Lu3 1 0.18220715 0.18220715 0.50000000 1.0 Lu Lu4 1 0.81779285 0.00000000 0.50000000 1.0 Si Si5 1 1.00000000 0.17972076 0.00000000 1.0 Si Si6 1 0.82027924 0.82027924 0.00000000 1.0 Si Si7 1 0.17972076 0.00000000 0.00000000 1.0 Si Si8 1 0.52191819 0.68602054 0.50000000 1.0 Si Si9 1 0.31397946 0.83589765 0.50000000 1.0 Si Si10 1 0.16410235 0.47808181 0.50000000 1.0 Si Si11 1 0.47808181 0.16410235 0.50000000 1.0 Si Si12 1 0.68602054 0.52191819 0.50000000 1.0 Si Si13 1 0.83589765 0.31397946 0.50000000 1.0 Si Si14 1 0.00000000 0.63151964 0.00000000 1.0 Si Si15 1 0.36848036 0.36848036 0.00000000 1.0 Si Si16 1 0.63151964 1.00000000 0.00000000 1.0 Ir Ir17 1 1.00000000 0.27996471 0.50000000 1.0 Ir Ir18 1 0.72003529 0.72003529 0.50000000 1.0 Ir Ir19 1 0.27996471 0.00000000 0.50000000 1.0 Ir Ir20 1 0.62779774 0.80938646 0.00000000 1.0 Ir Ir21 1 0.19061354 0.81841128 0.00000000 1.0 Ir Ir22 1 0.18158872 0.37220226 0.00000000 1.0 Ir Ir23 1 0.37220226 0.18158872 0.00000000 1.0 Ir Ir24 1 0.80938646 0.62779774 0.00000000 1.0 Ir Ir25 1 0.81841128 0.19061354 0.00000000 1.0 Ir Ir26 1 0.51666550 0.87529675 0.50000000 1.0 Ir Ir27 1 0.12470325 0.64136975 0.50000000 1.0 Ir Ir28 1 0.35863025 0.48333450 0.50000000 1.0 Ir Ir29 1 0.48333450 0.35863025 0.50000000 1.0 Ir Ir30 1 0.87529675 0.51666550 0.50000000 1.0 Ir Ir31 1 0.64136975 0.12470325 0.50000000 1.0 Ir Ir32 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir33 1 1.00000000 0.44661793 0.00000000 1.0 Ir Ir34 1 0.55338207 0.55338207 0.00000000 1.0 Ir Ir35 1 0.44661793 0.00000000 0.00000000 1.0